2-(2-chlorophenyl)-N-[(2S)-2-(2-hydroxyethyl)pentyl]-1,3-thiazole-4-carboxamide

C17H21ClN2O2S — CID 95787801

IUPAC2-(2-chlorophenyl)-N-[(2S)-2-(2-hydroxyethyl)pentyl]-1,3-thiazole-4-carboxamide
SMILESCCCC(CCO)CNC(=O)c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C17H21ClN2O2S/c1-2-5-12(8-9-21)10-19-16(22)15-11-23-17(20-15)13-6-3-4-7-14(13)18/h3-4,6-7,11-12,21H,2,5,8-10H2,1H3,(H,19,22)
InChIKeyLIVHWVKCIGUYCE-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.99
Rot. Bonds8

About 2-(2-chlorophenyl)-N-[(2S)-2-(2-hydroxyethyl)pentyl]-1,3-thiazole-4-carboxamide

2-(2-chlorophenyl)-N-[(2S)-2-(2-hydroxyethyl)pentyl]-1,3-thiazole-4-carboxamide (PubChem CID 95787801) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[(2S)-2-(2-hydroxyethyl)pentyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[(2S)-2-(2-hydroxyethyl)pentyl]-1,3-thiazole-4-carboxamide
PubChem CID95787801
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC Name2-(2-chlorophenyl)-N-[(2S)-2-(2-hydroxyethyl)pentyl]-1,3-thiazole-4-carboxamide
SMILESCCCC(CCO)CNC(=O)c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C17H21ClN2O2S/c1-2-5-12(8-9-21)10-19-16(22)15-11-23-17(20-15)13-6-3-4-7-14(13)18/h3-4,6-7,11-12,21H,2,5,8-10H2,1H3,(H,19,22)
InChIKeyLIVHWVKCIGUYCE-UHFFFAOYSA-N
XLogP3.99
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722702
N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 111697417
2-(2-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 110929005
2-(2-chlorophenyl)-N-[3-(methylamino)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119431166
N-[2-(2-hydroxyethyl)pentyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 111697336
2,5-dichloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103725481
N-[2-(2-hydroxyethyl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 103722645
3-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]-ethylamino]propanoic acid
CID 119191537
2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725645
2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 119392076

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[(2S)-2-(2-hydroxyethyl)pentyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[(2S)-2-(2-hydroxyethyl)pentyl]-1,3-thiazole-4-carboxamide (CID 95787801) is 2-(2-chlorophenyl)-N-[(2S)-2-(2-hydroxyethyl)pentyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[(2S)-2-(2-hydroxyethyl)pentyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[(2S)-2-(2-hydroxyethyl)pentyl]-1,3-thiazole-4-carboxamide is CCCC(CCO)CNC(=O)c1csc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[(2S)-2-(2-hydroxyethyl)pentyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LIVHWVKCIGUYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S/c1-2-5-12(8-9-21)10-19-16(22)15-11-23-17(20-15)13-6-3-4-7-14(13)18/h3-4,6-7,11-12,21H,2,5,8-10H2,1H3,(H,19,22).
What are the key properties of 2-(2-chlorophenyl)-N-[(2S)-2-(2-hydroxyethyl)pentyl]-1,3-thiazole-4-carboxamide?
2-(2-chlorophenyl)-N-[(2S)-2-(2-hydroxyethyl)pentyl]-1,3-thiazole-4-carboxamide has a molecular weight of 352.89 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[(2S)-2-(2-hydroxyethyl)pentyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 95787801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).