5-(1,3-benzothiazol-6-ylamino)pentan-1-ol

C12H16N2OS — CID 103868012

IUPAC5-(1,3-benzothiazol-6-ylamino)pentan-1-ol
SMILESOCCCCCNc1ccc2ncsc2c1
InChIInChI=1S/C12H16N2OS/c15-7-3-1-2-6-13-10-4-5-11-12(8-10)16-9-14-11/h4-5,8-9,13,15H,1-3,6-7H2
InChIKeyCPRISKCVDLNUCU-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.87
Rot. Bonds6

About 5-(1,3-benzothiazol-6-ylamino)pentan-1-ol

5-(1,3-benzothiazol-6-ylamino)pentan-1-ol (PubChem CID 103868012) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(1,3-benzothiazol-6-ylamino)pentan-1-ol
PubChem CID103868012
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name5-(1,3-benzothiazol-6-ylamino)pentan-1-ol
SMILESOCCCCCNc1ccc2ncsc2c1
InChIInChI=1S/C12H16N2OS/c15-7-3-1-2-6-13-10-4-5-11-12(8-10)16-9-14-11/h4-5,8-9,13,15H,1-3,6-7H2
InChIKeyCPRISKCVDLNUCU-UHFFFAOYSA-N
XLogP2.87
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(1,3-benzothiazol-6-ylamino)pentyl]-2-methylpropane-2-sulfonamide
CID 70939102
methyl 4-(1,3-benzothiazol-6-ylamino)butanoate
CID 107804839
N-(3,3-dimethylbutyl)-1,3-benzothiazol-6-amine
CID 107803721
N-(1,3-benzothiazol-6-yl)-4-hydroxybutanamide
CID 107801616
3-(1,3-benzothiazol-6-ylamino)propane-1,2-diol
CID 107804909
N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine
CID 107804703
2-(1,3-benzothiazol-6-ylamino)-1-(2,4-difluorophenyl)ethanol
CID 107804707
4-[(1,3-benzothiazol-6-ylamino)methyl]phenol
CID 103953931
N-methoxy-1,3-benzothiazol-6-amine
CID 90120001
6-(3,4-dichloroanilino)hexan-1-ol
CID 103801947
N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
CID 103731094
N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine
CID 103818874

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-ylamino)pentan-1-ol?
The IUPAC name of 5-(1,3-benzothiazol-6-ylamino)pentan-1-ol (CID 103868012) is 5-(1,3-benzothiazol-6-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(1,3-benzothiazol-6-ylamino)pentan-1-ol?
The canonical SMILES for 5-(1,3-benzothiazol-6-ylamino)pentan-1-ol is OCCCCCNc1ccc2ncsc2c1.
What is the InChIKey of 5-(1,3-benzothiazol-6-ylamino)pentan-1-ol?
The InChIKey is CPRISKCVDLNUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c15-7-3-1-2-6-13-10-4-5-11-12(8-10)16-9-14-11/h4-5,8-9,13,15H,1-3,6-7H2.
What are the key properties of 5-(1,3-benzothiazol-6-ylamino)pentan-1-ol?
5-(1,3-benzothiazol-6-ylamino)pentan-1-ol has a molecular weight of 236.34 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-6-ylamino)pentan-1-ol is sourced from PubChem (CID 103868012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).