N-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C15H18N2O2S2 — CID 103774105

IUPACN-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NC1CCCC1CO
InChIInChI=1S/C15H18N2O2S2/c1-9-13(21-15(16-9)11-5-6-20-8-11)14(19)17-12-4-2-3-10(12)7-18/h5-6,8,10,12,18H,2-4,7H2,1H3,(H,17,19)
InChIKeyGCBLDLLAUMSGMW-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.07
Rot. Bonds4

About N-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 103774105) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID103774105
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NC1CCCC1CO
InChIInChI=1S/C15H18N2O2S2/c1-9-13(21-15(16-9)11-5-6-20-8-11)14(19)17-12-4-2-3-10(12)7-18/h5-6,8,10,12,18H,2-4,7H2,1H3,(H,17,19)
InChIKeyGCBLDLLAUMSGMW-UHFFFAOYSA-N
XLogP3.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119603790
4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17455034
N-[2-(aminomethyl)cyclopentyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
CID 119600903
N-[(2R)-1-hydroxybutan-2-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 103920340
N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 79194223
4-methyl-N-(2-methylbutan-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 47119834
N-(2-methoxyethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17489055
N-(2-chloroprop-2-enyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115636535
4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 106364449
N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
CID 119609453
N-(4-cyclopentylsulfonylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 39177524

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 103774105) is N-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccsc2)sc1C(=O)NC1CCCC1CO.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is GCBLDLLAUMSGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-9-13(21-15(16-9)11-5-6-20-8-11)14(19)17-12-4-2-3-10(12)7-18/h5-6,8,10,12,18H,2-4,7H2,1H3,(H,17,19).
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 322.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103774105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).