3-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]cyclopentan-1-ol

C13H17N3OS — CID 106119520

IUPAC3-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]cyclopentan-1-ol
SMILESNc1ccc2nc(NCC3CCC(O)C3)sc2c1
InChIInChI=1S/C13H17N3OS/c14-9-2-4-11-12(6-9)18-13(16-11)15-7-8-1-3-10(17)5-8/h2,4,6,8,10,17H,1,3,5,7,14H2,(H,15,16)
InChIKeyUZAUCDYRRMCDGU-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.45
Rot. Bonds3

About 3-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]cyclopentan-1-ol

3-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 106119520) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]cyclopentan-1-ol
PubChem CID106119520
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name3-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]cyclopentan-1-ol
SMILESNc1ccc2nc(NCC3CCC(O)C3)sc2c1
InChIInChI=1S/C13H17N3OS/c14-9-2-4-11-12(6-9)18-13(16-11)15-7-8-1-3-10(17)5-8/h2,4,6,8,10,17H,1,3,5,7,14H2,(H,15,16)
InChIKeyUZAUCDYRRMCDGU-UHFFFAOYSA-N
XLogP2.45
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminocyclopentyl)methyl]-1,3-benzothiazol-2-amine
CID 114146982
2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine
CID 114515038
6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 79528936
6-chloro-N-(cyclobutylmethyl)-1,3-benzothiazol-2-amine
CID 79528767
2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethylurea
CID 83115817
2-N-(3-ethylcyclohexyl)-1,3-benzothiazole-2,6-diamine
CID 64748026
N-(cyclopropylmethyl)-5,6-dimethyl-1,3-benzothiazol-2-amine
CID 12741815
2-N-[2-(dimethylamino)-2-methylpropyl]-1,3-benzothiazole-2,6-diamine
CID 63231257
4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol
CID 63231374
N-[(3-aminocyclobutyl)methyl]-1,3-benzothiazol-2-amine
CID 66005217
2-N-[(4-chlorophenyl)methyl]-1,3-benzothiazole-2,6-diamine
CID 63231401
2-N-(4-methylcyclohexyl)-1,3-benzothiazole-2,6-diamine
CID 63231366

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]cyclopentan-1-ol (CID 106119520) is 3-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]cyclopentan-1-ol is Nc1ccc2nc(NCC3CCC(O)C3)sc2c1.
What is the InChIKey of 3-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is UZAUCDYRRMCDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c14-9-2-4-11-12(6-9)18-13(16-11)15-7-8-1-3-10(17)5-8/h2,4,6,8,10,17H,1,3,5,7,14H2,(H,15,16).
What are the key properties of 3-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]cyclopentan-1-ol?
3-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 263.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106119520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).