2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol

C9H13NOS — CID 83390528

IUPAC2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol
SMILESOCCc1nc2c(s1)CCCC2
InChIInChI=1S/C9H13NOS/c11-6-5-9-10-7-3-1-2-4-8(7)12-9/h11H,1-6H2
InChIKeyPEIMVXHIPQNWKN-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.56
Rot. Bonds2

About 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol

2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol (PubChem CID 83390528) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol
PubChem CID83390528
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol
SMILESOCCc1nc2c(s1)CCCC2
InChIInChI=1S/C9H13NOS/c11-6-5-9-10-7-3-1-2-4-8(7)12-9/h11H,1-6H2
InChIKeyPEIMVXHIPQNWKN-UHFFFAOYSA-N
XLogP1.56
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine;dihydrochloride
CID 47000761
2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 130511936
4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine
CID 3469612
2-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-N-methylethanamine
CID 4223788
N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-2-amine
CID 82114962
2-ethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58541380
2-chloro-N-[2-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)ethyl]acetamide
CID 146103293
N-cyclopentyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 110388544
3-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]butan-1-amine
CID 94270126
1-[1-(2-hydroxyethyl)cyclobutyl]-3-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]urea
CID 75381511
trans-(1R,2R)-2-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124610050
trans-(1S,2S)-2-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124610049

Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol?
The IUPAC name of 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol (CID 83390528) is 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol is OCCc1nc2c(s1)CCCC2.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol?
The InChIKey is PEIMVXHIPQNWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c11-6-5-9-10-7-3-1-2-4-8(7)12-9/h11H,1-6H2.
What are the key properties of 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol?
2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol has a molecular weight of 183.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol is sourced from PubChem (CID 83390528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).