tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;ethyl 4-(3-iodoanilino)-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;tributyl(1,3-thiazol-4-yl)stannane

C87H106IN19O9S8Sn — CID 159089053

About tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;ethyl 4-(3-iodoanilino)-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;tributyl(1,3-thiazol-4-yl)stannane

tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;ethyl 4-(3-iodoanilino)-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;tributyl(1,3-thiazol-4-yl)stannane (PubChem CID 159089053) has the molecular formula C87H106IN19O9S8Sn and a molecular weight of 2064.08 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;ethyl 4-(3-iodoanilino)-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;tributyl(1,3-thiazol-4-yl)stannane.

Molecular Properties

• Compound Name: tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;ethyl 4-(3-iodoanilino)-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;tributyl(1,3-thiazol-4-yl)stannane
• PubChem CID: 159089053
• Molecular Formula: C87H106IN19O9S8Sn
• Molecular Weight: 2064.08 g/mol
• Exact Mass: 2063.43
• IUPAC Name: tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;ethyl 4-(3-iodoanilino)-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;tributyl(1,3-thiazol-4-yl)stannane
• SMILES: CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.CCCC[Sn](CCCC)(CCCC)c1cscn1.CCOC(=O)c1cnc(SC)nc1Nc1cccc(-c2cscn2)c1.CCOC(=O)c1cnc(SC)nc1Nc1cccc(I)c1.CSc1ncc(C(=O)O)c(Nc2cccc(-c3cscn3)c2)n1.CSc1ncc(C(N)=O)c(Nc2cccc(-c3cscn3)c2)n1
• InChI: InChI=1S/C17H16N4O2S2.C15H13N5OS2.C15H12N4O2S2.C14H14IN3O2S.C11H22N2O2.3C4H9.C3H2NS.Sn/c1-3-23-16(22)13-8-18-17(24-2)21-15(13)20-12-6-4-5-11(7-12)14-9-25-10-19-14;1-22-15-17-6-11(13(16)21)14(20-15)19-10-4-2-3-9(5-10)12-7-23-8-18-12;1-22-15-16-6-11(14(20)21)13(19-15)18-10-4-2-3-9(5-10)12-7-23-8-17-12;1-3-20-13(19)11-8-16-14(21-2)18-12(11)17-10-6-4-5-9(15)7-10;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;3*1-3-4-2;1-2-5-3-4-1;/h4-10H,3H2,1-2H3,(H,18,20,21);2-8H,1H3,(H2,16,21)(H,17,19,20);2-8H,1H3,(H,20,21)(H,16,18,19);4-8H,3H2,1-2H3,(H,16,17,18);8-9H,4-7,12H2,1-3H3,(H,13,14);3*1,3-4H2,2H3;2-3H;/t;;;;8-,9+;;;;;/m....1...../s1
• InChIKey: KBVARKPPENJTAE-ZYFZIZSRSA-N
• XLogP: 21.87
• TPSA: 400.14 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2064.08
LogP ≤ 5	21.87
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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;ethyl 4-(3-iodoanilino)-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;tributyl(1,3-thiazol-4-yl)stannane?

The IUPAC name of tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;ethyl 4-(3-iodoanilino)-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;tributyl(1,3-thiazol-4-yl)stannane (CID 159089053) is tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;ethyl 4-(3-iodoanilino)-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;tributyl(1,3-thiazol-4-yl)stannane.

What is the SMILES notation for tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;ethyl 4-(3-iodoanilino)-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;tributyl(1,3-thiazol-4-yl)stannane?

The canonical SMILES for tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;ethyl 4-(3-iodoanilino)-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;tributyl(1,3-thiazol-4-yl)stannane is CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.CCCC[Sn](CCCC)(CCCC)c1cscn1.CCOC(=O)c1cnc(SC)nc1Nc1cccc(-c2cscn2)c1.CCOC(=O)c1cnc(SC)nc1Nc1cccc(I)c1.CSc1ncc(C(=O)O)c(Nc2cccc(-c3cscn3)c2)n1.CSc1ncc(C(N)=O)c(Nc2cccc(-c3cscn3)c2)n1.

What is the InChIKey of tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;ethyl 4-(3-iodoanilino)-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;tributyl(1,3-thiazol-4-yl)stannane?

The InChIKey is KBVARKPPENJTAE-ZYFZIZSRSA-N. The full InChI is InChI=1S/C17H16N4O2S2.C15H13N5OS2.C15H12N4O2S2.C14H14IN3O2S.C11H22N2O2.3C4H9.C3H2NS.Sn/c1-3-23-16(22)13-8-18-17(24-2)21-15(13)20-12-6-4-5-11(7-12)14-9-25-10-19-14;1-22-15-17-6-11(13(16)21)14(20-15)19-10-4-2-3-9(5-10)12-7-23-8-18-12;1-22-15-16-6-11(14(20)21)13(19-15)18-10-4-2-3-9(5-10)12-7-23-8-17-12;1-3-20-13(19)11-8-16-14(21-2)18-12(11)17-10-6-4-5-9(15)7-10;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;3*1-3-4-2;1-2-5-3-4-1;/h4-10H,3H2,1-2H3,(H,18,20,21);2-8H,1H3,(H2,16,21)(H,17,19,20);2-8H,1H3,(H,20,21)(H,16,18,19);4-8H,3H2,1-2H3,(H,16,17,18);8-9H,4-7,12H2,1-3H3,(H,13,14);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;ethyl 4-(3-iodoanilino)-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;tributyl(1,3-thiazol-4-yl)stannane?

tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;ethyl 4-(3-iodoanilino)-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;tributyl(1,3-thiazol-4-yl)stannane has a molecular weight of 2064.08 g/mol, XLogP of 21.87, 32 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;ethyl 4-(3-iodoanilino)-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylate;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxamide;2-methylsulfanyl-4-[3-(1,3-thiazol-4-yl)anilino]pyrimidine-5-carboxylic acid;tributyl(1,3-thiazol-4-yl)stannane is sourced from PubChem (CID 159089053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).