2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide

C16H21ClN2OS — CID 4142914

IUPAC2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)N1CCSC1c1cccc(Cl)c1
InChIInChI=1S/C16H21ClN2OS/c17-13-6-4-5-12(11-13)15-19(9-10-21-15)16(20)18-14-7-2-1-3-8-14/h4-6,11,14-15H,1-3,7-10H2,(H,18,20)
InChIKeyLUCKDCCDPYSPNR-UHFFFAOYSA-N
MW324.88 g/mol
LogP4.43
Rot. Bonds2

About 2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide

2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide (PubChem CID 4142914) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide
PubChem CID4142914
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)N1CCSC1c1cccc(Cl)c1
InChIInChI=1S/C16H21ClN2OS/c17-13-6-4-5-12(11-13)15-19(9-10-21-15)16(20)18-14-7-2-1-3-8-14/h4-6,11,14-15H,1-3,7-10H2,(H,18,20)
InChIKeyLUCKDCCDPYSPNR-UHFFFAOYSA-N
XLogP4.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide
CID 7414110
(2R)-N-cyclohexyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7405136
(2S)-N-cyclohexyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025273
(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7409403
(2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7226698
1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7289124
2-chloro-1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7326995
(2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7418004
2-(3-chlorophenyl)-N-(2,4-difluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3328516
2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5168614
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2,4-dichlorophenyl)methanone
CID 7438620
[2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-pyrazin-2-ylmethanone
CID 122331182

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide (CID 4142914) is 2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide is O=C(NC1CCCCC1)N1CCSC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide?
The InChIKey is LUCKDCCDPYSPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c17-13-6-4-5-12(11-13)15-19(9-10-21-15)16(20)18-14-7-2-1-3-8-14/h4-6,11,14-15H,1-3,7-10H2,(H,18,20).
What are the key properties of 2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide?
2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide has a molecular weight of 324.88 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 4142914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).