N-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide

C14H16N2O2S — CID 103774075

IUPACN-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NC1CCCC1CO)c1ccc2ncsc2c1
InChIInChI=1S/C14H16N2O2S/c17-7-10-2-1-3-11(10)16-14(18)9-4-5-12-13(6-9)19-8-15-12/h4-6,8,10-11,17H,1-3,7H2,(H,16,18)
InChIKeyUCFJIMVGFVBFQR-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.19
Rot. Bonds3

About N-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide

N-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 103774075) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide
PubChem CID103774075
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NC1CCCC1CO)c1ccc2ncsc2c1
InChIInChI=1S/C14H16N2O2S/c17-7-10-2-1-3-11(10)16-14(18)9-4-5-12-13(6-9)19-8-15-12/h4-6,8,10-11,17H,1-3,7H2,(H,16,18)
InChIKeyUCFJIMVGFVBFQR-UHFFFAOYSA-N
XLogP2.19
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid
CID 64813484
N-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide
CID 70694815
N-[2-(hydroxymethyl)cyclopentyl]-3H-benzimidazole-5-carboxamide
CID 103856996
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119477630
N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
CID 2093191
N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119427664
N-(2-amino-1-cyclopropylethyl)-1,3-benzothiazole-6-carboxamide
CID 119616230
2-chloro-N-[2-(hydroxymethyl)cyclohexyl]quinoline-6-carboxamide
CID 110011733
3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103798593
2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 104844483

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide (CID 103774075) is N-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide is O=C(NC1CCCC1CO)c1ccc2ncsc2c1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is UCFJIMVGFVBFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-7-10-2-1-3-11(10)16-14(18)9-4-5-12-13(6-9)19-8-15-12/h4-6,8,10-11,17H,1-3,7H2,(H,16,18).
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide?
N-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 103774075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).