butane;tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylcarbamate;tert-butyl N-ethyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-ethyl-2-pyridin-3-yl-1,3-thiazol-5-amine;bis(N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methyl-3-methylsulfanylpropanamide);1,1-diiodobutane;1-iodobutane;1-iodobutane;1,1,1-triiodobutane;bis(vanadium)

C90H124Cl4I7N15O6S7V2-2 — CID 160787630

About butane;tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylcarbamate;tert-butyl N-ethyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-ethyl-2-pyridin-3-yl-1,3-thiazol-5-amine;bis(N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methyl-3-methylsulfanylpropanamide);1,1-diiodobutane;1-iodobutane;1-iodobutane;1,1,1-triiodobutane;bis(vanadium)

butane;tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylcarbamate;tert-butyl N-ethyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-ethyl-2-pyridin-3-yl-1,3-thiazol-5-amine;bis(N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methyl-3-methylsulfanylpropanamide);1,1-diiodobutane;1-iodobutane;1-iodobutane;1,1,1-triiodobutane;bis(vanadium) (PubChem CID 160787630) has the molecular formula C90H124Cl4I7N15O6S7V2-2 and a molecular weight of 2868.58 g/mol. Its IUPAC name is butane;tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylcarbamate;tert-butyl N-ethyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-ethyl-2-pyridin-3-yl-1,3-thiazol-5-amine;bis(N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methyl-3-methylsulfanylpropanamide);1,1-diiodobutane;1-iodobutane;1-iodobutane;1,1,1-triiodobutane;bis(vanadium).

Molecular Properties

• Compound Name: butane;tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylcarbamate;tert-butyl N-ethyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-ethyl-2-pyridin-3-yl-1,3-thiazol-5-amine;bis(N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methyl-3-methylsulfanylpropanamide);1,1-diiodobutane;1-iodobutane;1-iodobutane;1,1,1-triiodobutane;bis(vanadium)
• PubChem CID: 160787630
• Molecular Formula: C90H124Cl4I7N15O6S7V2-2
• Molecular Weight: 2868.58 g/mol
• Exact Mass: 2864.89
• IUPAC Name: butane;tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylcarbamate;tert-butyl N-ethyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-ethyl-2-pyridin-3-yl-1,3-thiazol-5-amine;bis(N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methyl-3-methylsulfanylpropanamide);1,1-diiodobutane;1-iodobutane;1-iodobutane;1,1,1-triiodobutane;bis(vanadium)
• SMILES: CCCC(I)(I)I.CCCC(I)I.CCCCI.CCC[CH-]I.CCN(C(=O)C(C)CSC)c1sc(-c2cccnc2)nc1Cl.CCN(C(=O)C(C)CSC)c1sc(-c2cccnc2)nc1Cl.CCN(C(=O)OC(C)(C)C)c1cnc(-c2cccnc2)s1.CCN(C(=O)OC(C)(C)C)c1sc(-c2cccnc2)nc1Cl.CCNc1sc(-c2cccnc2)nc1Cl.[CH2-]CCC.[V].[V]
• InChI: InChI=1S/C15H18ClN3O2S.2C15H18ClN3OS2.C15H19N3O2S.C10H10ClN3S.C4H7I3.C4H8I2.C4H9I.C4H8I.C4H9.2V/c1-5-19(14(20)21-15(2,3)4)13-11(16)18-12(22-13)10-7-6-8-17-9-10;2*1-4-19(14(20)10(2)9-21-3)15-12(16)18-13(22-15)11-6-5-7-17-8-11;1-5-18(14(19)20-15(2,3)4)12-10-17-13(21-12)11-7-6-8-16-9-11;1-2-13-10-8(11)14-9(15-10)7-4-3-5-12-6-7;1-2-3-4(5,6)7;1-2-3-4(5)6;2*1-2-3-4-5;1-3-4-2;;/h6-9H,5H2,1-4H3;2*5-8,10H,4,9H2,1-3H3;6-10H,5H2,1-4H3;3-6,13H,2H2,1H3;2-3H2,1H3;4H,2-3H2,1H3;2-4H2,1H3;4H,2-3H2,1H3;1,3-4H2,2H3;;/q;;;;;;;;2*-1
• InChIKey: UMMMTVCBVDAUOO-UHFFFAOYSA-N
• XLogP: 33.25
• TPSA: 240.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2868.58
LogP ≤ 5	33.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butane;tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylcarbamate;tert-butyl N-ethyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-ethyl-2-pyridin-3-yl-1,3-thiazol-5-amine;bis(N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methyl-3-methylsulfanylpropanamide);1,1-diiodobutane;1-iodobutane;1-iodobutane;1,1,1-triiodobutane;bis(vanadium)?

The IUPAC name of butane;tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylcarbamate;tert-butyl N-ethyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-ethyl-2-pyridin-3-yl-1,3-thiazol-5-amine;bis(N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methyl-3-methylsulfanylpropanamide);1,1-diiodobutane;1-iodobutane;1-iodobutane;1,1,1-triiodobutane;bis(vanadium) (CID 160787630) is butane;tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylcarbamate;tert-butyl N-ethyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-ethyl-2-pyridin-3-yl-1,3-thiazol-5-amine;bis(N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methyl-3-methylsulfanylpropanamide);1,1-diiodobutane;1-iodobutane;1-iodobutane;1,1,1-triiodobutane;bis(vanadium).

What is the SMILES notation for butane;tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylcarbamate;tert-butyl N-ethyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-ethyl-2-pyridin-3-yl-1,3-thiazol-5-amine;bis(N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methyl-3-methylsulfanylpropanamide);1,1-diiodobutane;1-iodobutane;1-iodobutane;1,1,1-triiodobutane;bis(vanadium)?

The canonical SMILES for butane;tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylcarbamate;tert-butyl N-ethyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-ethyl-2-pyridin-3-yl-1,3-thiazol-5-amine;bis(N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methyl-3-methylsulfanylpropanamide);1,1-diiodobutane;1-iodobutane;1-iodobutane;1,1,1-triiodobutane;bis(vanadium) is CCCC(I)(I)I.CCCC(I)I.CCCCI.CCC[CH-]I.CCN(C(=O)C(C)CSC)c1sc(-c2cccnc2)nc1Cl.CCN(C(=O)C(C)CSC)c1sc(-c2cccnc2)nc1Cl.CCN(C(=O)OC(C)(C)C)c1cnc(-c2cccnc2)s1.CCN(C(=O)OC(C)(C)C)c1sc(-c2cccnc2)nc1Cl.CCNc1sc(-c2cccnc2)nc1Cl.[CH2-]CCC.[V].[V].

What is the InChIKey of butane;tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylcarbamate;tert-butyl N-ethyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-ethyl-2-pyridin-3-yl-1,3-thiazol-5-amine;bis(N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methyl-3-methylsulfanylpropanamide);1,1-diiodobutane;1-iodobutane;1-iodobutane;1,1,1-triiodobutane;bis(vanadium)?

The InChIKey is UMMMTVCBVDAUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S.2C15H18ClN3OS2.C15H19N3O2S.C10H10ClN3S.C4H7I3.C4H8I2.C4H9I.C4H8I.C4H9.2V/c1-5-19(14(20)21-15(2,3)4)13-11(16)18-12(22-13)10-7-6-8-17-9-10;2*1-4-19(14(20)10(2)9-21-3)15-12(16)18-13(22-15)11-6-5-7-17-8-11;1-5-18(14(19)20-15(2,3)4)12-10-17-13(21-12)11-7-6-8-16-9-11;1-2-13-10-8(11)14-9(15-10)7-4-3-5-12-6-7;1-2-3-4(5,6)7;1-2-3-4(5)6;2*1-2-3-4-5;1-3-4-2;;/h6-9H,5H2,1-4H3;2*5-8,10H,4,9H2,1-3H3;6-10H,5H2,1-4H3;3-6,13H,2H2,1H3;2-3H2,1H3;4H,2-3H2,1H3;2-4H2,1H3;4H,2-3H2,1H3;1,3-4H2,2H3;;/q;;;;;;;;2*-1;;.

What are the key properties of butane;tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylcarbamate;tert-butyl N-ethyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-ethyl-2-pyridin-3-yl-1,3-thiazol-5-amine;bis(N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methyl-3-methylsulfanylpropanamide);1,1-diiodobutane;1-iodobutane;1-iodobutane;1,1,1-triiodobutane;bis(vanadium)?

butane;tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylcarbamate;tert-butyl N-ethyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-ethyl-2-pyridin-3-yl-1,3-thiazol-5-amine;bis(N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methyl-3-methylsulfanylpropanamide);1,1-diiodobutane;1-iodobutane;1-iodobutane;1,1,1-triiodobutane;bis(vanadium) has a molecular weight of 2868.58 g/mol, XLogP of 33.25, 30 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for butane;tert-butyl N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethylcarbamate;tert-butyl N-ethyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;4-chloro-N-ethyl-2-pyridin-3-yl-1,3-thiazol-5-amine;bis(N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-methyl-3-methylsulfanylpropanamide);1,1-diiodobutane;1-iodobutane;1-iodobutane;1,1,1-triiodobutane;bis(vanadium) is sourced from PubChem (CID 160787630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).