2-[2-(1,3-benzothiazol-2-ylamino)cyclopentyl]ethanol

C14H18N2OS — CID 133496116

IUPAC2-[2-(1,3-benzothiazol-2-ylamino)cyclopentyl]ethanol
SMILESOCCC1CCCC1Nc1nc2ccccc2s1
InChIInChI=1S/C14H18N2OS/c17-9-8-10-4-3-6-11(10)15-14-16-12-5-1-2-7-13(12)18-14/h1-2,5,7,10-11,17H,3-4,6,8-9H2,(H,15,16)
InChIKeyNMJOBYKDTWECPW-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.26
Rot. Bonds4

About 2-[2-(1,3-benzothiazol-2-ylamino)cyclopentyl]ethanol

2-[2-(1,3-benzothiazol-2-ylamino)cyclopentyl]ethanol (PubChem CID 133496116) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[2-(1,3-benzothiazol-2-ylamino)cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[2-(1,3-benzothiazol-2-ylamino)cyclopentyl]ethanol
PubChem CID133496116
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-[2-(1,3-benzothiazol-2-ylamino)cyclopentyl]ethanol
SMILESOCCC1CCCC1Nc1nc2ccccc2s1
InChIInChI=1S/C14H18N2OS/c17-9-8-10-4-3-6-11(10)15-14-16-12-5-1-2-7-13(12)18-14/h1-2,5,7,10-11,17H,3-4,6,8-9H2,(H,15,16)
InChIKeyNMJOBYKDTWECPW-UHFFFAOYSA-N
XLogP3.26
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-N-(1,3-benzothiazol-2-yl)cyclohexane-1,2-diamine
CID 93453955
[2-[[6-(benzimidazol-1-ylmethyl)-1,3-benzothiazol-2-yl]amino]cyclohexyl]methanol
CID 123678159
N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 43317154
N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine
CID 115695581
N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 12741817
2-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]ethanol
CID 133496128
2-N-(2-ethylcyclohexyl)-1,3-benzothiazole-2,6-diamine
CID 63402632
2-[(4R)-4-(1,3-benzothiazol-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 94171896
2-[(4S)-4-(1,3-benzothiazol-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 94171897
2-[2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclopentyl]ethanol
CID 133496512
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
2-amino-N-(1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119672105

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzothiazol-2-ylamino)cyclopentyl]ethanol?
The IUPAC name of 2-[2-(1,3-benzothiazol-2-ylamino)cyclopentyl]ethanol (CID 133496116) is 2-[2-(1,3-benzothiazol-2-ylamino)cyclopentyl]ethanol.
What is the SMILES notation for 2-[2-(1,3-benzothiazol-2-ylamino)cyclopentyl]ethanol?
The canonical SMILES for 2-[2-(1,3-benzothiazol-2-ylamino)cyclopentyl]ethanol is OCCC1CCCC1Nc1nc2ccccc2s1.
What is the InChIKey of 2-[2-(1,3-benzothiazol-2-ylamino)cyclopentyl]ethanol?
The InChIKey is NMJOBYKDTWECPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c17-9-8-10-4-3-6-11(10)15-14-16-12-5-1-2-7-13(12)18-14/h1-2,5,7,10-11,17H,3-4,6,8-9H2,(H,15,16).
What are the key properties of 2-[2-(1,3-benzothiazol-2-ylamino)cyclopentyl]ethanol?
2-[2-(1,3-benzothiazol-2-ylamino)cyclopentyl]ethanol has a molecular weight of 262.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzothiazol-2-ylamino)cyclopentyl]ethanol is sourced from PubChem (CID 133496116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).