(4S)-N-[(S)-(3-chloro-4-fluorophenyl)-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide

C18H15ClF4N4O2S — CID 167527907

IUPAC(4S)-N-[(S)-(3-chloro-4-fluorophenyl)-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@@H](c2ccc(F)c(Cl)c2)c2csc(C3(C(F)(F)F)CC3)n2)N1
InChIInChI=1S/C18H15ClF4N4O2S/c19-9-5-8(1-2-10(9)20)13(27-14(28)11-6-24-16(29)26-11)12-7-30-15(25-12)17(3-4-17)18(21,22)23/h1-2,5,7,11,13H,3-4,6H2,(H,27,28)(H2,24,26,29)/t11-,13-/m0/s1
InChIKeyHWNZJPPGRCSLFN-AAEUAGOBSA-N
MW462.86 g/mol
LogP3.42
Rot. Bonds5

About (4S)-N-[(S)-(3-chloro-4-fluorophenyl)-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(S)-(3-chloro-4-fluorophenyl)-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 167527907) has the molecular formula C18H15ClF4N4O2S and a molecular weight of 462.86 g/mol. Its IUPAC name is (4S)-N-[(S)-(3-chloro-4-fluorophenyl)-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(S)-(3-chloro-4-fluorophenyl)-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID167527907
Molecular FormulaC18H15ClF4N4O2S
Molecular Weight462.86 g/mol
Exact Mass462.05
IUPAC Name(4S)-N-[(S)-(3-chloro-4-fluorophenyl)-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@@H](c2ccc(F)c(Cl)c2)c2csc(C3(C(F)(F)F)CC3)n2)N1
InChIInChI=1S/C18H15ClF4N4O2S/c19-9-5-8(1-2-10(9)20)13(27-14(28)11-6-24-16(29)26-11)12-7-30-15(25-12)17(3-4-17)18(21,22)23/h1-2,5,7,11,13H,3-4,6H2,(H,27,28)(H2,24,26,29)/t11-,13-/m0/s1
InChIKeyHWNZJPPGRCSLFN-AAEUAGOBSA-N
XLogP3.42
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.86
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4S)-N-[(S)-(3-chloro-4-fluorophenyl)-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide with MolForge

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Related Compounds

CID 155754593
CID 155754593
2-[(4-chlorophenyl)methyl]-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 155754722
2-[(2-chloro-4-fluorophenyl)methyl]-N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 155754933
US10710967, Example 191
CID 155883409
US10710967, Example 232
CID 155883449
US20230312528, Example 76
CID 162509572
US11802122, Example 16A
CID 166908102
US20230312528, Example 16B
CID 167527901
N-[[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-(3,4-difluorophenyl)methyl]acetamide
CID 46942758
N-[[4-(3-chloro-5-fluorophenyl)-1,3-thiazol-2-yl]-(3-fluorophenyl)methyl]acetamide
CID 49778300
N4-(3-chloro-4-fluorobenzyl)-N2-ethylthiazole-2,4-dicarboxamide
CID 49666225
N-(2-chloro-4-fluorobenzyl)-2-(pyrrolidine-1-carbonyl)thiazole-4-carboxamide
CID 49666231

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(S)-(3-chloro-4-fluorophenyl)-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(S)-(3-chloro-4-fluorophenyl)-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 167527907) is (4S)-N-[(S)-(3-chloro-4-fluorophenyl)-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(S)-(3-chloro-4-fluorophenyl)-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(S)-(3-chloro-4-fluorophenyl)-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)N[C@@H](c2ccc(F)c(Cl)c2)c2csc(C3(C(F)(F)F)CC3)n2)N1.
What is the InChIKey of (4S)-N-[(S)-(3-chloro-4-fluorophenyl)-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is HWNZJPPGRCSLFN-AAEUAGOBSA-N. The full InChI is InChI=1S/C18H15ClF4N4O2S/c19-9-5-8(1-2-10(9)20)13(27-14(28)11-6-24-16(29)26-11)12-7-30-15(25-12)17(3-4-17)18(21,22)23/h1-2,5,7,11,13H,3-4,6H2,(H,27,28)(H2,24,26,29)/t11-,13-/m0/s1.
What are the key properties of (4S)-N-[(S)-(3-chloro-4-fluorophenyl)-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(S)-(3-chloro-4-fluorophenyl)-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 462.86 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(S)-(3-chloro-4-fluorophenyl)-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 167527907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).