2-(1,2-benzothiazol-6-yl)propan-1-ol

C10H11NOS — CID 117283915

IUPAC2-(1,2-benzothiazol-6-yl)propan-1-ol
SMILESCC(CO)c1ccc2cnsc2c1
InChIInChI=1S/C10H11NOS/c1-7(6-12)8-2-3-9-5-11-13-10(9)4-8/h2-5,7,12H,6H2,1H3
InChIKeyANPQDHPYZWMZFY-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.39
Rot. Bonds2

About 2-(1,2-benzothiazol-6-yl)propan-1-ol

2-(1,2-benzothiazol-6-yl)propan-1-ol (PubChem CID 117283915) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-(1,2-benzothiazol-6-yl)propan-1-ol.

Molecular Properties

Compound Name2-(1,2-benzothiazol-6-yl)propan-1-ol
PubChem CID117283915
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-(1,2-benzothiazol-6-yl)propan-1-ol
SMILESCC(CO)c1ccc2cnsc2c1
InChIInChI=1S/C10H11NOS/c1-7(6-12)8-2-3-9-5-11-13-10(9)4-8/h2-5,7,12H,6H2,1H3
InChIKeyANPQDHPYZWMZFY-UHFFFAOYSA-N
XLogP2.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylindazol-6-yl)propan-1-ol
CID 117281911
1,2-benzothiazol-6-ol
CID 135742002
6-ethyl-1,2-benzothiazole
CID 70295455
3-(1,2-benzothiazol-6-yl)-2-methylpropan-1-amine
CID 83883007
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
5-[(2R)-1-hydroxypropan-2-yl]-2-methylphenol
CID 130678232
2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 117282404
2-N-methyl-2-N-([1,2]thiazolo[5,4-b]pyridin-6-yl)propane-1,2-diamine
CID 83838938
2-[3-bromo-4-(fluoromethyl)phenyl]propan-1-ol
CID 117369450
1,2-benzothiazole-6-carbonitrile
CID 69163321
3-amino-N-(1,2-benzothiazol-6-yl)-3-thiophen-3-ylpropanamide;N-(1,2-benzothiazol-6-yl)-3-thiophen-3-ylbutanamide;hydrochloride
CID 159108654
2-(4-iodophenyl)propan-1-ol
CID 118041609

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzothiazol-6-yl)propan-1-ol?
The IUPAC name of 2-(1,2-benzothiazol-6-yl)propan-1-ol (CID 117283915) is 2-(1,2-benzothiazol-6-yl)propan-1-ol.
What is the SMILES notation for 2-(1,2-benzothiazol-6-yl)propan-1-ol?
The canonical SMILES for 2-(1,2-benzothiazol-6-yl)propan-1-ol is CC(CO)c1ccc2cnsc2c1.
What is the InChIKey of 2-(1,2-benzothiazol-6-yl)propan-1-ol?
The InChIKey is ANPQDHPYZWMZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-7(6-12)8-2-3-9-5-11-13-10(9)4-8/h2-5,7,12H,6H2,1H3.
What are the key properties of 2-(1,2-benzothiazol-6-yl)propan-1-ol?
2-(1,2-benzothiazol-6-yl)propan-1-ol has a molecular weight of 193.27 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzothiazol-6-yl)propan-1-ol is sourced from PubChem (CID 117283915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).