N-benzyl-2-(2-chlorophenyl)-N-(2-hydroxypropyl)-1,3-thiazole-4-carboxamide

C20H19ClN2O2S — CID 167914091

IUPACN-benzyl-2-(2-chlorophenyl)-N-(2-hydroxypropyl)-1,3-thiazole-4-carboxamide
SMILESCC(O)CN(Cc1ccccc1)C(=O)c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C20H19ClN2O2S/c1-14(24)11-23(12-15-7-3-2-4-8-15)20(25)18-13-26-19(22-18)16-9-5-6-10-17(16)21/h2-10,13-14,24H,11-12H2,1H3
InChIKeyXNCYPPQSCSWWHP-UHFFFAOYSA-N
MW386.90 g/mol
LogP4.49
Rot. Bonds6

About N-benzyl-2-(2-chlorophenyl)-N-(2-hydroxypropyl)-1,3-thiazole-4-carboxamide

N-benzyl-2-(2-chlorophenyl)-N-(2-hydroxypropyl)-1,3-thiazole-4-carboxamide (PubChem CID 167914091) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is N-benzyl-2-(2-chlorophenyl)-N-(2-hydroxypropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2-chlorophenyl)-N-(2-hydroxypropyl)-1,3-thiazole-4-carboxamide
PubChem CID167914091
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC NameN-benzyl-2-(2-chlorophenyl)-N-(2-hydroxypropyl)-1,3-thiazole-4-carboxamide
SMILESCC(O)CN(Cc1ccccc1)C(=O)c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C20H19ClN2O2S/c1-14(24)11-23(12-15-7-3-2-4-8-15)20(25)18-13-26-19(22-18)16-9-5-6-10-17(16)21/h2-10,13-14,24H,11-12H2,1H3
InChIKeyXNCYPPQSCSWWHP-UHFFFAOYSA-N
XLogP4.49
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 119190569
3-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]-ethylamino]propanoic acid
CID 119191537
2-(2-chlorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120832699
N-(3-aminobutyl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119496538
(2S)-3-[benzyl-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoic acid
CID 97324026
N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067249
N-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42865825
2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetic acid
CID 60839308
N-benzyl-2-(2-chloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 5222692
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 56512666
N-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 110900035
N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide
CID 46553417

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-chlorophenyl)-N-(2-hydroxypropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-(2-chlorophenyl)-N-(2-hydroxypropyl)-1,3-thiazole-4-carboxamide (CID 167914091) is N-benzyl-2-(2-chlorophenyl)-N-(2-hydroxypropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(2-chlorophenyl)-N-(2-hydroxypropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-(2-chlorophenyl)-N-(2-hydroxypropyl)-1,3-thiazole-4-carboxamide is CC(O)CN(Cc1ccccc1)C(=O)c1csc(-c2ccccc2Cl)n1.
What is the InChIKey of N-benzyl-2-(2-chlorophenyl)-N-(2-hydroxypropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is XNCYPPQSCSWWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c1-14(24)11-23(12-15-7-3-2-4-8-15)20(25)18-13-26-19(22-18)16-9-5-6-10-17(16)21/h2-10,13-14,24H,11-12H2,1H3.
What are the key properties of N-benzyl-2-(2-chlorophenyl)-N-(2-hydroxypropyl)-1,3-thiazole-4-carboxamide?
N-benzyl-2-(2-chlorophenyl)-N-(2-hydroxypropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 386.90 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-chlorophenyl)-N-(2-hydroxypropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 167914091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).