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

C14H18N2OS — CID 113294048

IUPAC[1-[(2,1-benzothiazol-3-ylamino)methyl]cyclopentyl]methanol
SMILESOCC1(CNc2snc3ccccc23)CCCC1
InChIInChI=1S/C14H18N2OS/c17-10-14(7-3-4-8-14)9-15-13-11-5-1-2-6-12(11)16-18-13/h1-2,5-6,15,17H,3-4,7-10H2
InChIKeyVCYDFFMLZIYACF-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.26
Rot. Bonds4

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

[1-[(2,1-benzothiazol-3-ylamino)methyl]cyclopentyl]methanol (PubChem CID 113294048) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [1-[(2,1-benzothiazol-3-ylamino)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(2,1-benzothiazol-3-ylamino)methyl]cyclopentyl]methanol
PubChem CID113294048
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[1-[(2,1-benzothiazol-3-ylamino)methyl]cyclopentyl]methanol
SMILESOCC1(CNc2snc3ccccc23)CCCC1
InChIInChI=1S/C14H18N2OS/c17-10-14(7-3-4-8-14)9-15-13-11-5-1-2-6-12(11)16-18-13/h1-2,5-6,15,17H,3-4,7-10H2
InChIKeyVCYDFFMLZIYACF-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

N-[(1-methylsulfanylcyclopentyl)methyl]-2,1-benzothiazol-3-amine
CID 114116995
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,1-benzothiazol-3-amine
CID 113263918
[1-[(cinnolin-4-ylamino)methyl]cyclopentyl]methanol
CID 115360663
4-[(2,1-benzothiazol-3-ylamino)methyl]oxane-4-carboxylic acid
CID 115438678
[1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103965467
3-[(2,1-benzothiazol-3-ylamino)methyl]oxolan-3-ol
CID 103847671
1-[(2,1-benzothiazol-3-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 66354872
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]cinnoline-3-carbonitrile
CID 115360612
[1-[[(4-methylphthalazin-1-yl)amino]methyl]cyclopentyl]methanol
CID 115360695
[4-(2,1-benzothiazol-3-ylamino)oxan-4-yl]methanol
CID 106299620
N-(2-chloroethyl)-2,1-benzothiazol-3-amine
CID 66354488
[1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]methanol
CID 103968588

Frequently Asked Questions

What is the IUPAC name of [1-[(2,1-benzothiazol-3-ylamino)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(2,1-benzothiazol-3-ylamino)methyl]cyclopentyl]methanol (CID 113294048) is [1-[(2,1-benzothiazol-3-ylamino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(2,1-benzothiazol-3-ylamino)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(2,1-benzothiazol-3-ylamino)methyl]cyclopentyl]methanol is OCC1(CNc2snc3ccccc23)CCCC1.
What is the InChIKey of [1-[(2,1-benzothiazol-3-ylamino)methyl]cyclopentyl]methanol?
The InChIKey is VCYDFFMLZIYACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c17-10-14(7-3-4-8-14)9-15-13-11-5-1-2-6-12(11)16-18-13/h1-2,5-6,15,17H,3-4,7-10H2.
What are the key properties of [1-[(2,1-benzothiazol-3-ylamino)methyl]cyclopentyl]methanol?
[1-[(2,1-benzothiazol-3-ylamino)methyl]cyclopentyl]methanol 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 [1-[(2,1-benzothiazol-3-ylamino)methyl]cyclopentyl]methanol is sourced from PubChem (CID 113294048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).