1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol

C14H18N2OS — CID 65111068

IUPAC1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNCc2nc3ccccc3s2)CCCC1
InChIInChI=1S/C14H18N2OS/c17-14(7-3-4-8-14)10-15-9-13-16-11-5-1-2-6-12(11)18-13/h1-2,5-6,15,17H,3-4,7-10H2
InChIKeyPCCMQMCTFHZMIX-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.69
Rot. Bonds4

About 1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol

1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol (PubChem CID 65111068) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol
PubChem CID65111068
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNCc2nc3ccccc3s2)CCCC1
InChIInChI=1S/C14H18N2OS/c17-14(7-3-4-8-14)10-15-9-13-16-11-5-1-2-6-12(11)18-13/h1-2,5-6,15,17H,3-4,7-10H2
InChIKeyPCCMQMCTFHZMIX-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 114099950
1-(1,3-benzothiazol-2-yl)-N-[[1-(2-chloroethyl)cyclopropyl]methyl]methanamine
CID 114757501
1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 63934325
1-(1,3-benzothiazol-2-ylmethyl)-4,4-dimethylcycloheptan-1-ol
CID 79818593
2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 111539750
1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 110902621
1-(1,3-benzothiazol-2-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110912916
4-(1,3-benzothiazol-2-ylmethyl)azepan-4-ol
CID 103982930
4-(1,3-benzothiazol-2-ylmethylamino)butan-1-ol
CID 83961861
1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119686687
1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol
CID 79818993
N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine
CID 107417972

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol (CID 65111068) is 1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol is OC1(CNCc2nc3ccccc3s2)CCCC1.
What is the InChIKey of 1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol?
The InChIKey is PCCMQMCTFHZMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c17-14(7-3-4-8-14)10-15-9-13-16-11-5-1-2-6-12(11)18-13/h1-2,5-6,15,17H,3-4,7-10H2.
What are the key properties of 1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol?
1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol has a molecular weight of 262.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65111068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).