2-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol

C10H15NOS — CID 115066888

IUPAC2-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
SMILESCCCc1nc2c(s1)CC(O)CC2
InChIInChI=1S/C10H15NOS/c1-2-3-10-11-8-5-4-7(12)6-9(8)13-10/h7,12H,2-6H2,1H3
InChIKeyQTTVNZGEPWHOSU-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.95
Rot. Bonds2

About 2-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol

2-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol (PubChem CID 115066888) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
PubChem CID115066888
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
SMILESCCCc1nc2c(s1)CC(O)CC2
InChIInChI=1S/C10H15NOS/c1-2-3-10-11-8-5-4-7(12)6-9(8)13-10/h7,12H,2-6H2,1H3
InChIKeyQTTVNZGEPWHOSU-UHFFFAOYSA-N
XLogP1.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 130511936
2-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
CID 115066918
(6R)-2-butyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
CID 99908843
(2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine
CID 121002752
2-(6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-N-methylethanamine
CID 62542565
3-(6-fluoro-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanoic acid
CID 105486509
N-[(6R)-6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 132510072
2-[[2-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
CID 115066917
2-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetonitrile
CID 55026344
2-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
CID 115066894
N-[2-(aminomethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-methyl-N-propylboronamidic acid
CID 54370099
6-(2-cyclohexylethyl)-2-propyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
CID 145451512

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol?
The IUPAC name of 2-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol (CID 115066888) is 2-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol is CCCc1nc2c(s1)CC(O)CC2.
What is the InChIKey of 2-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol?
The InChIKey is QTTVNZGEPWHOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-2-3-10-11-8-5-4-7(12)6-9(8)13-10/h7,12H,2-6H2,1H3.
What are the key properties of 2-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol?
2-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol has a molecular weight of 197.30 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol is sourced from PubChem (CID 115066888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).