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

C11H17NOS — CID 79413051

IUPAC2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCCCCc1nc2c(s1)CCCC2O
InChIInChI=1S/C11H17NOS/c1-2-3-7-10-12-11-8(13)5-4-6-9(11)14-10/h8,13H,2-7H2,1H3
InChIKeyPFJQCKWFZVBXLK-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.86
Rot. Bonds3

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

2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (PubChem CID 79413051) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
PubChem CID79413051
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
SMILESCCCCc1nc2c(s1)CCCC2O
InChIInChI=1S/C11H17NOS/c1-2-3-7-10-12-11-8(13)5-4-6-9(11)14-10/h8,13H,2-7H2,1H3
InChIKeyPFJQCKWFZVBXLK-UHFFFAOYSA-N
XLogP2.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol with MolForge

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Related Compounds

2-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 14913371
2-Ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62090945
(4,5,6,7-Tetrahydro-1,3-benzothiazol-2-yl)methanol
CID 46784931
2-(2,2,2-Trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62089195
2-(2,2,2-Trifluoroethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976350
2-(3,3,3-Trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 79964071
2-(3,3,3-Trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 79965191
2-(2,2,3,3-Tetrafluoropropoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 103476123
2-(2,2,3,3-Tetrafluoropropoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 103476131
2-(Trifluoromethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 112639693
2-(Trifluoromethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 112639697
2-[2-(2,2-Difluoroethoxy)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 113781138

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The IUPAC name of 2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol (CID 79413051) is 2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol.
What is the SMILES notation for 2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The canonical SMILES for 2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is CCCCc1nc2c(s1)CCCC2O.
What is the InChIKey of 2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
The InChIKey is PFJQCKWFZVBXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-2-3-7-10-12-11-8(13)5-4-6-9(11)14-10/h8,13H,2-7H2,1H3.
What are the key properties of 2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol?
2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol has a molecular weight of 211.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol is sourced from PubChem (CID 79413051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).