(4S)-N-[(4-chlorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide

C16H14ClF3N4O2S — CID 162509572

IUPAC(4S)-N-[(4-chlorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCc1nc(C(F)(F)F)sc1C(NC(=O)[C@@H]1CNC(=O)N1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClF3N4O2S/c1-7-12(27-14(22-7)16(18,19)20)11(8-2-4-9(17)5-3-8)24-13(25)10-6-21-15(26)23-10/h2-5,10-11H,6H2,1H3,(H,24,25)(H2,21,23,26)/t10-,11?/m0/s1
InChIKeyNMXDXTBCYCADFP-VUWPPUDQSA-N
MW418.83 g/mol
LogP3.01
Rot. Bonds4

About (4S)-N-[(4-chlorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(4-chlorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162509572) has the molecular formula C16H14ClF3N4O2S and a molecular weight of 418.83 g/mol. Its IUPAC name is (4S)-N-[(4-chlorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(4-chlorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162509572
Molecular FormulaC16H14ClF3N4O2S
Molecular Weight418.83 g/mol
Exact Mass418.05
IUPAC Name(4S)-N-[(4-chlorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCc1nc(C(F)(F)F)sc1C(NC(=O)[C@@H]1CNC(=O)N1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClF3N4O2S/c1-7-12(27-14(22-7)16(18,19)20)11(8-2-4-9(17)5-3-8)24-13(25)10-6-21-15(26)23-10/h2-5,10-11H,6H2,1H3,(H,24,25)(H2,21,23,26)/t10-,11?/m0/s1
InChIKeyNMXDXTBCYCADFP-VUWPPUDQSA-N
XLogP3.01
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.83
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4S)-N-[(4-chlorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide with MolForge

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Related Compounds

(S)-N-((R or S)-(3-chloro-2,4-difluorophenyl)(2-(2,2,2-trifluoroethoxy)thiazol-5-yl)methyl)-2-oxoimidazolidine-4-carboxamide
CID 162520757
(S)-N-((R or S)-(3-chloro-2,4-difluorophenyl)(2-(difluoromethoxy)thiazol-5-yl)methyl)-2-oxoimidazolidine-4-carboxamide
CID 162520854
US11802122, Example 36A
CID 162520859
US11802122, Example 35A
CID 162520869
US11802122, Example 16A
CID 166908102
US20230312528, Example 16B
CID 167527901
US20230312528, Example 16A
CID 167527907
N-{2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-N'-(2,4-difluorophenyl)ethanediamide
CID 16028731
(4S)-N-[(3-chloro-2,4-difluorophenyl)-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 166905150
(4S)-N-[(3-chloro-2,4-difluorophenyl)-[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 166905153
US10065972, Example 11
CID 124153824
N-{[2-(o-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl}-(S)-5-oxo-2-pyrrolidinecarboxamide
CID 97040611

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(4-chlorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(4-chlorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 162509572) is (4S)-N-[(4-chlorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(4-chlorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(4-chlorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide is Cc1nc(C(F)(F)F)sc1C(NC(=O)[C@@H]1CNC(=O)N1)c1ccc(Cl)cc1.
What is the InChIKey of (4S)-N-[(4-chlorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is NMXDXTBCYCADFP-VUWPPUDQSA-N. The full InChI is InChI=1S/C16H14ClF3N4O2S/c1-7-12(27-14(22-7)16(18,19)20)11(8-2-4-9(17)5-3-8)24-13(25)10-6-21-15(26)23-10/h2-5,10-11H,6H2,1H3,(H,24,25)(H2,21,23,26)/t10-,11?/m0/s1.
What are the key properties of (4S)-N-[(4-chlorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(4-chlorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 418.83 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(4-chlorophenyl)-[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162509572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).