(5R,6S)-N-[(2S)-1-[acetyl(methyl)amino]propan-2-yl]-5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide

C29H34Cl2N4O2S — CID 58007384

IUPAC(5R,6S)-N-[(2S)-1-[acetyl(methyl)amino]propan-2-yl]-5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC(=O)N(C)C[C@H](C)N(C)C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1
InChIInChI=1S/C29H34Cl2N4O2S/c1-17(2)24-25(27(37)34(7)18(3)16-33(6)19(4)36)38-28-32-29(5,21-10-14-23(31)15-11-21)26(35(24)28)20-8-12-22(30)13-9-20/h8-15,17-18,26H,16H2,1-7H3/t18-,26+,29-/m0/s1
InChIKeyORDCMGLFRMAVJE-YSFPHSKWSA-N
MW573.59 g/mol
LogP6.56
Rot. Bonds7

About (5R,6S)-N-[(2S)-1-[acetyl(methyl)amino]propan-2-yl]-5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide

(5R,6S)-N-[(2S)-1-[acetyl(methyl)amino]propan-2-yl]-5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 58007384) has the molecular formula C29H34Cl2N4O2S and a molecular weight of 573.59 g/mol. Its IUPAC name is (5R,6S)-N-[(2S)-1-[acetyl(methyl)amino]propan-2-yl]-5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name(5R,6S)-N-[(2S)-1-[acetyl(methyl)amino]propan-2-yl]-5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID58007384
Molecular FormulaC29H34Cl2N4O2S
Molecular Weight573.59 g/mol
Exact Mass572.18
IUPAC Name(5R,6S)-N-[(2S)-1-[acetyl(methyl)amino]propan-2-yl]-5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC(=O)N(C)C[C@H](C)N(C)C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1
InChIInChI=1S/C29H34Cl2N4O2S/c1-17(2)24-25(27(37)34(7)18(3)16-33(6)19(4)36)38-28-32-29(5,21-10-14-23(31)15-11-21)26(35(24)28)20-8-12-22(30)13-9-20/h8-15,17-18,26H,16H2,1-7H3/t18-,26+,29-/m0/s1
InChIKeyORDCMGLFRMAVJE-YSFPHSKWSA-N
XLogP6.56
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.59
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R,6S)-5,6-bis(4-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 68806753
1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]ethanone
CID 68806087
1-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]cyclopropane-1-carboxylic acid
CID 67058309
(5R,6S)-5,6-bis(4-chlorophenyl)-N-ethyl-6-methyl-N-(1-methylpiperidin-4-yl)-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 58007339
(5R,6S)-N-(azetidin-3-yl)-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 58006775
(3S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]pyrrolidine-1-carboxylic acid
CID 68807243
4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 58007132
(5R,6S)-5,6-bis(4-chlorophenyl)-N-ethyl-6-methyl-N-(1-methylpyrrolidin-3-yl)-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 68804600
(2S)-N-[2-[acetyl(methyl)amino]ethyl]-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 58007213
(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid;(5R,6S)-5-(4-chlorophenyl)-6-(6-chloro-3-pyridinyl)-N,N,6-trimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 160955270
(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[(1-methylazetidin-2-yl)methyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 143692071
(5R,6S)-5-(4-chlorophenyl)-6-(3,4-difluorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 68804579

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-N-[(2S)-1-[acetyl(methyl)amino]propan-2-yl]-5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of (5R,6S)-N-[(2S)-1-[acetyl(methyl)amino]propan-2-yl]-5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 58007384) is (5R,6S)-N-[(2S)-1-[acetyl(methyl)amino]propan-2-yl]-5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for (5R,6S)-N-[(2S)-1-[acetyl(methyl)amino]propan-2-yl]-5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for (5R,6S)-N-[(2S)-1-[acetyl(methyl)amino]propan-2-yl]-5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is CC(=O)N(C)C[C@H](C)N(C)C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1.
What is the InChIKey of (5R,6S)-N-[(2S)-1-[acetyl(methyl)amino]propan-2-yl]-5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is ORDCMGLFRMAVJE-YSFPHSKWSA-N. The full InChI is InChI=1S/C29H34Cl2N4O2S/c1-17(2)24-25(27(37)34(7)18(3)16-33(6)19(4)36)38-28-32-29(5,21-10-14-23(31)15-11-21)26(35(24)28)20-8-12-22(30)13-9-20/h8-15,17-18,26H,16H2,1-7H3/t18-,26+,29-/m0/s1.
What are the key properties of (5R,6S)-N-[(2S)-1-[acetyl(methyl)amino]propan-2-yl]-5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?
(5R,6S)-N-[(2S)-1-[acetyl(methyl)amino]propan-2-yl]-5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 573.59 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-N-[(2S)-1-[acetyl(methyl)amino]propan-2-yl]-5,6-bis(4-chlorophenyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 58007384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).