2-hydroxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide

C18H22N2O2S — CID 110014751

IUPAC2-hydroxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
SMILESCc1sc(CCNC(=O)C2CCCC2O)nc1-c1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-12-17(13-6-3-2-4-7-13)20-16(23-12)10-11-19-18(22)14-8-5-9-15(14)21/h2-4,6-7,14-15,21H,5,8-11H2,1H3,(H,19,22)
InChIKeyJOMSMBLIKJNPQH-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.94
Rot. Bonds5

About 2-hydroxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide

2-hydroxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 110014751) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID110014751
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-hydroxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
SMILESCc1sc(CCNC(=O)C2CCCC2O)nc1-c1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-12-17(13-6-3-2-4-7-13)20-16(23-12)10-11-19-18(22)14-8-5-9-15(14)21/h2-4,6-7,14-15,21H,5,8-11H2,1H3,(H,19,22)
InChIKeyJOMSMBLIKJNPQH-UHFFFAOYSA-N
XLogP2.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide
CID 44774897
2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119893382
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119893380
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 13313986
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016053
cis-(1R,2S)-2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 6937188
trans-(1S,2S)-2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 753063
N-[2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopentanamine
CID 82102862
N-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 82102767
2-hydroxy-N-(2-thiophen-3-ylethyl)cyclopentane-1-carboxamide
CID 110015235
N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
CID 166275175

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-hydroxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide (CID 110014751) is 2-hydroxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-hydroxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide is Cc1sc(CCNC(=O)C2CCCC2O)nc1-c1ccccc1.
What is the InChIKey of 2-hydroxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is JOMSMBLIKJNPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12-17(13-6-3-2-4-7-13)20-16(23-12)10-11-19-18(22)14-8-5-9-15(14)21/h2-4,6-7,14-15,21H,5,8-11H2,1H3,(H,19,22).
What are the key properties of 2-hydroxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide?
2-hydroxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 110014751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).