(5R)-2-(2-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide

C18H15ClF3N3OS — CID 1116150

IUPAC(5R)-2-(2-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)/C(=N/c2ccccc2Cl)S1
InChIInChI=1S/C18H15ClF3N3OS/c1-11-10-25(17(27-11)24-15-8-3-2-7-14(15)19)16(26)23-13-6-4-5-12(9-13)18(20,21)22/h2-9,11H,10H2,1H3,(H,23,26)/b24-17-/t11-/m1/s1
InChIKeyHMVIHNSJTYAPEO-CFLRLNCXSA-N
MW413.85 g/mol
LogP6.02
Rot. Bonds2

About (5R)-2-(2-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide

(5R)-2-(2-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (PubChem CID 1116150) has the molecular formula C18H15ClF3N3OS and a molecular weight of 413.85 g/mol. Its IUPAC name is (5R)-2-(2-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(5R)-2-(2-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
PubChem CID1116150
Molecular FormulaC18H15ClF3N3OS
Molecular Weight413.85 g/mol
Exact Mass413.06
IUPAC Name(5R)-2-(2-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)/C(=N/c2ccccc2Cl)S1
InChIInChI=1S/C18H15ClF3N3OS/c1-11-10-25(17(27-11)24-15-8-3-2-7-14(15)19)16(26)23-13-6-4-5-12(9-13)18(20,21)22/h2-9,11H,10H2,1H3,(H,23,26)/b24-17-/t11-/m1/s1
InChIKeyHMVIHNSJTYAPEO-CFLRLNCXSA-N
XLogP6.02
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.85
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5R)-2-(3-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1116154
(2S)-2-ethyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 92682537
(5R)-N-(3,4-dichlorophenyl)-2-[4-(dimethylamino)phenyl]imino-5-methyl-1,3-thiazolidine-3-carboxamide
CID 1119068
4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 46382952
(2R)-1-(2-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 1487050
3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 62536564
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 894781
1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 5297464
2-acetyl-N-[3-(trifluoromethyl)phenyl]diazinane-1-carboxamide
CID 139071679
3-(3-chloro-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 11315855
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(2-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (5R)-2-(2-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide (CID 1116150) is (5R)-2-(2-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (5R)-2-(2-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (5R)-2-(2-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is C[C@@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)/C(=N/c2ccccc2Cl)S1.
What is the InChIKey of (5R)-2-(2-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
The InChIKey is HMVIHNSJTYAPEO-CFLRLNCXSA-N. The full InChI is InChI=1S/C18H15ClF3N3OS/c1-11-10-25(17(27-11)24-15-8-3-2-7-14(15)19)16(26)23-13-6-4-5-12(9-13)18(20,21)22/h2-9,11H,10H2,1H3,(H,23,26)/b24-17-/t11-/m1/s1.
What are the key properties of (5R)-2-(2-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide?
(5R)-2-(2-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide has a molecular weight of 413.85 g/mol, XLogP of 6.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(2-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 1116150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).