tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl carbamate;tert-butyl N-(3-fluoro-4-iodophenyl)carbamate;tert-butyl N-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]carbamate;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;2-fluoro-1,4-diiodobenzene;bis(3-fluoro-4-(1,3-thiazol-4-yl)aniline);tributyl(1,3-thiazol-4-yl)stannane

C131H142Cl5F8I3N26O15S7Sn — CID 157328440

About tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl carbamate;tert-butyl N-(3-fluoro-4-iodophenyl)carbamate;tert-butyl N-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]carbamate;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;2-fluoro-1,4-diiodobenzene;bis(3-fluoro-4-(1,3-thiazol-4-yl)aniline);tributyl(1,3-thiazol-4-yl)stannane

tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl carbamate;tert-butyl N-(3-fluoro-4-iodophenyl)carbamate;tert-butyl N-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]carbamate;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;2-fluoro-1,4-diiodobenzene;bis(3-fluoro-4-(1,3-thiazol-4-yl)aniline);tributyl(1,3-thiazol-4-yl)stannane (PubChem CID 157328440) has the molecular formula C131H142Cl5F8I3N26O15S7Sn and a molecular weight of 3373.88 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl carbamate;tert-butyl N-(3-fluoro-4-iodophenyl)carbamate;tert-butyl N-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]carbamate;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;2-fluoro-1,4-diiodobenzene;bis(3-fluoro-4-(1,3-thiazol-4-yl)aniline);tributyl(1,3-thiazol-4-yl)stannane.

Molecular Properties

• Compound Name: tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl carbamate;tert-butyl N-(3-fluoro-4-iodophenyl)carbamate;tert-butyl N-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]carbamate;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;2-fluoro-1,4-diiodobenzene;bis(3-fluoro-4-(1,3-thiazol-4-yl)aniline);tributyl(1,3-thiazol-4-yl)stannane
• PubChem CID: 157328440
• Molecular Formula: C131H142Cl5F8I3N26O15S7Sn
• Molecular Weight: 3373.88 g/mol
• Exact Mass: 3370.37
• IUPAC Name: tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl carbamate;tert-butyl N-(3-fluoro-4-iodophenyl)carbamate;tert-butyl N-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]carbamate;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;2-fluoro-1,4-diiodobenzene;bis(3-fluoro-4-(1,3-thiazol-4-yl)aniline);tributyl(1,3-thiazol-4-yl)stannane
• SMILES: CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.CC(C)(C)OC(=O)Nc1ccc(-c2cscn2)c(F)c1.CC(C)(C)OC(=O)Nc1ccc(I)c(F)c1.CC(C)(C)OC(N)=O.CCCC[Sn](CCCC)(CCCC)c1cscn1.CCOC(=O)c1cnc(Cl)nc1Cl.CCOC(=O)c1cnc(Cl)nc1Nc1ccc(-c2cscn2)c(F)c1.Fc1cc(I)ccc1I.NC(=O)c1cnc(Cl)nc1Nc1ccc(-c2cscn2)c(F)c1.Nc1ccc(-c2cscn2)c(F)c1.Nc1ccc(-c2cscn2)c(F)c1.O=C(O)c1cnc(Cl)nc1Nc1ccc(-c2cscn2)c(F)c1
• InChI: InChI=1S/C16H12ClFN4O2S.C14H9ClFN5OS.C14H8ClFN4O2S.C14H15FN2O2S.C11H13FINO2.C11H22N2O2.2C9H7FN2S.C7H6Cl2N2O2.C6H3FI2.C5H11NO2.3C4H9.C3H2NS.Sn/c1-2-24-15(23)11-6-19-16(17)22-14(11)21-9-3-4-10(12(18)5-9)13-7-25-8-20-13;15-14-18-4-9(12(17)22)13(21-14)20-7-1-2-8(10(16)3-7)11-5-23-6-19-11;15-14-17-4-9(13(21)22)12(20-14)19-7-1-2-8(10(16)3-7)11-5-23-6-18-11;1-14(2,3)19-13(18)17-9-4-5-10(11(15)6-9)12-7-20-8-16-12;1-11(2,3)16-10(15)14-7-4-5-9(13)8(12)6-7;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;2*10-8-3-6(11)1-2-7(8)9-4-13-5-12-9;1-2-13-6(12)4-3-10-7(9)11-5(4)8;7-5-3-4(8)1-2-6(5)9;1-5(2,3)8-4(6)7;3*1-3-4-2;1-2-5-3-4-1;/h3-8H,2H2,1H3,(H,19,21,22);1-6H,(H2,17,22)(H,18,20,21);1-6H,(H,21,22)(H,17,19,20);4-8H,1-3H3,(H,17,18);4-6H,1-3H3,(H,14,15);8-9H,4-7,12H2,1-3H3,(H,13,14);2*1-5H,11H2;3H,2H2,1H3;1-3H;1-3H3,(H2,6,7);3*1,3-4H2,2H3;2-3H;/t;;;;;8-,9+;;;;;;;;;;/m.....1........../s1
• InChIKey: BEZQFGHMFPOEHP-PFRJDBTMSA-N
• XLogP: 37.37
• TPSA: 607.80 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 31
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3373.88
LogP ≤ 5	37.37
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl carbamate;tert-butyl N-(3-fluoro-4-iodophenyl)carbamate;tert-butyl N-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]carbamate;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;2-fluoro-1,4-diiodobenzene;bis(3-fluoro-4-(1,3-thiazol-4-yl)aniline);tributyl(1,3-thiazol-4-yl)stannane?

The IUPAC name of tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl carbamate;tert-butyl N-(3-fluoro-4-iodophenyl)carbamate;tert-butyl N-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]carbamate;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;2-fluoro-1,4-diiodobenzene;bis(3-fluoro-4-(1,3-thiazol-4-yl)aniline);tributyl(1,3-thiazol-4-yl)stannane (CID 157328440) is tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl carbamate;tert-butyl N-(3-fluoro-4-iodophenyl)carbamate;tert-butyl N-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]carbamate;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;2-fluoro-1,4-diiodobenzene;bis(3-fluoro-4-(1,3-thiazol-4-yl)aniline);tributyl(1,3-thiazol-4-yl)stannane.

What is the SMILES notation for tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl carbamate;tert-butyl N-(3-fluoro-4-iodophenyl)carbamate;tert-butyl N-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]carbamate;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;2-fluoro-1,4-diiodobenzene;bis(3-fluoro-4-(1,3-thiazol-4-yl)aniline);tributyl(1,3-thiazol-4-yl)stannane?

The canonical SMILES for tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl carbamate;tert-butyl N-(3-fluoro-4-iodophenyl)carbamate;tert-butyl N-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]carbamate;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;2-fluoro-1,4-diiodobenzene;bis(3-fluoro-4-(1,3-thiazol-4-yl)aniline);tributyl(1,3-thiazol-4-yl)stannane is CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.CC(C)(C)OC(=O)Nc1ccc(-c2cscn2)c(F)c1.CC(C)(C)OC(=O)Nc1ccc(I)c(F)c1.CC(C)(C)OC(N)=O.CCCC[Sn](CCCC)(CCCC)c1cscn1.CCOC(=O)c1cnc(Cl)nc1Cl.CCOC(=O)c1cnc(Cl)nc1Nc1ccc(-c2cscn2)c(F)c1.Fc1cc(I)ccc1I.NC(=O)c1cnc(Cl)nc1Nc1ccc(-c2cscn2)c(F)c1.Nc1ccc(-c2cscn2)c(F)c1.Nc1ccc(-c2cscn2)c(F)c1.O=C(O)c1cnc(Cl)nc1Nc1ccc(-c2cscn2)c(F)c1.

What is the InChIKey of tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl carbamate;tert-butyl N-(3-fluoro-4-iodophenyl)carbamate;tert-butyl N-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]carbamate;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;2-fluoro-1,4-diiodobenzene;bis(3-fluoro-4-(1,3-thiazol-4-yl)aniline);tributyl(1,3-thiazol-4-yl)stannane?

The InChIKey is BEZQFGHMFPOEHP-PFRJDBTMSA-N. The full InChI is InChI=1S/C16H12ClFN4O2S.C14H9ClFN5OS.C14H8ClFN4O2S.C14H15FN2O2S.C11H13FINO2.C11H22N2O2.2C9H7FN2S.C7H6Cl2N2O2.C6H3FI2.C5H11NO2.3C4H9.C3H2NS.Sn/c1-2-24-15(23)11-6-19-16(17)22-14(11)21-9-3-4-10(12(18)5-9)13-7-25-8-20-13;15-14-18-4-9(12(17)22)13(21-14)20-7-1-2-8(10(16)3-7)11-5-23-6-19-11;15-14-17-4-9(13(21)22)12(20-14)19-7-1-2-8(10(16)3-7)11-5-23-6-18-11;1-14(2,3)19-13(18)17-9-4-5-10(11(15)6-9)12-7-20-8-16-12;1-11(2,3)16-10(15)14-7-4-5-9(13)8(12)6-7;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;2*10-8-3-6(11)1-2-7(8)9-4-13-5-12-9;1-2-13-6(12)4-3-10-7(9)11-5(4)8;7-5-3-4(8)1-2-6(5)9;1-5(2,3)8-4(6)7;3*1-3-4-2;1-2-5-3-4-1;/h3-8H,2H2,1H3,(H,19,21,22);1-6H,(H2,17,22)(H,18,20,21);1-6H,(H,21,22)(H,17,19,20);4-8H,1-3H3,(H,17,18);4-6H,1-3H3,(H,14,15);8-9H,4-7,12H2,1-3H3,(H,13,14);2*1-5H,11H2;3H,2H2,1H3;1-3H;1-3H3,(H2,6,7);3*1,3-4H2,2H3;2-3H;/t;;;;;8-,9+;;;;;;;;;;/m.....1........../s1.

What are the key properties of tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl carbamate;tert-butyl N-(3-fluoro-4-iodophenyl)carbamate;tert-butyl N-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]carbamate;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;2-fluoro-1,4-diiodobenzene;bis(3-fluoro-4-(1,3-thiazol-4-yl)aniline);tributyl(1,3-thiazol-4-yl)stannane?

tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl carbamate;tert-butyl N-(3-fluoro-4-iodophenyl)carbamate;tert-butyl N-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]carbamate;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;2-fluoro-1,4-diiodobenzene;bis(3-fluoro-4-(1,3-thiazol-4-yl)aniline);tributyl(1,3-thiazol-4-yl)stannane has a molecular weight of 3373.88 g/mol, XLogP of 37.37, 31 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;tert-butyl carbamate;tert-butyl N-(3-fluoro-4-iodophenyl)carbamate;tert-butyl N-[3-fluoro-4-(1,3-thiazol-4-yl)phenyl]carbamate;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;ethyl 2-chloro-4-[3-fluoro-4-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;ethyl 2,4-dichloropyrimidine-5-carboxylate;2-fluoro-1,4-diiodobenzene;bis(3-fluoro-4-(1,3-thiazol-4-yl)aniline);tributyl(1,3-thiazol-4-yl)stannane is sourced from PubChem (CID 157328440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).