1-(1,3-benzothiazol-2-ylamino)pentan-2-ol

C12H16N2OS — CID 115622903

IUPAC1-(1,3-benzothiazol-2-ylamino)pentan-2-ol
SMILESCCCC(O)CNc1nc2ccccc2s1
InChIInChI=1S/C12H16N2OS/c1-2-5-9(15)8-13-12-14-10-6-3-4-7-11(10)16-12/h3-4,6-7,9,15H,2,5,8H2,1H3,(H,13,14)
InChIKeyVHZSCXAHCZZIPJ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.87
Rot. Bonds5

About 1-(1,3-benzothiazol-2-ylamino)pentan-2-ol

1-(1,3-benzothiazol-2-ylamino)pentan-2-ol (PubChem CID 115622903) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-ylamino)pentan-2-ol
PubChem CID115622903
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-(1,3-benzothiazol-2-ylamino)pentan-2-ol
SMILESCCCC(O)CNc1nc2ccccc2s1
InChIInChI=1S/C12H16N2OS/c1-2-5-9(15)8-13-12-14-10-6-3-4-7-11(10)16-12/h3-4,6-7,9,15H,2,5,8H2,1H3,(H,13,14)
InChIKeyVHZSCXAHCZZIPJ-UHFFFAOYSA-N
XLogP2.87
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

1-(1,3-benzothiazol-2-ylamino)-4,4-dimethylpentan-2-ol
CID 113237740
1-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]pentan-2-ol
CID 133342940
N-(2-ethylhexyl)-1,3-benzothiazol-2-amine
CID 103603194
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-hydroxypentyl)urea
CID 111337738
1-[1-(1,3-benzothiazol-2-yl)ethylamino]pentan-2-ol
CID 113261488
N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine
CID 79098958
1-(4-aminophenyl)-2-(1,3-benzothiazol-2-ylamino)ethanol
CID 60874725
1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol
CID 115691842
1-(2,1-benzothiazol-3-ylamino)pentan-2-ol
CID 115622893
N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 103603190
1-(1,3-benzothiazol-2-ylamino)oxypropan-2-ol
CID 167929863
2-(1,3-benzothiazol-2-ylamino)-N-(2-methylpropyl)acetamide
CID 113219085

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-ylamino)pentan-2-ol?
The IUPAC name of 1-(1,3-benzothiazol-2-ylamino)pentan-2-ol (CID 115622903) is 1-(1,3-benzothiazol-2-ylamino)pentan-2-ol.
What is the SMILES notation for 1-(1,3-benzothiazol-2-ylamino)pentan-2-ol?
The canonical SMILES for 1-(1,3-benzothiazol-2-ylamino)pentan-2-ol is CCCC(O)CNc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-ylamino)pentan-2-ol?
The InChIKey is VHZSCXAHCZZIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-2-5-9(15)8-13-12-14-10-6-3-4-7-11(10)16-12/h3-4,6-7,9,15H,2,5,8H2,1H3,(H,13,14).
What are the key properties of 1-(1,3-benzothiazol-2-ylamino)pentan-2-ol?
1-(1,3-benzothiazol-2-ylamino)pentan-2-ol has a molecular weight of 236.34 g/mol, XLogP of 2.87, 5 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-ylamino)pentan-2-ol is sourced from PubChem (CID 115622903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).