3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol

C8H13NOS — CID 131150994

IUPAC3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol
SMILESCC(C)CC(O)c1ccns1
InChIInChI=1S/C8H13NOS/c1-6(2)5-7(10)8-3-4-9-11-8/h3-4,6-7,10H,5H2,1-2H3
InChIKeySWCYNIYHFHLEGB-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.22
Rot. Bonds3

About 3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol

3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol (PubChem CID 131150994) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol
PubChem CID131150994
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol
SMILESCC(C)CC(O)c1ccns1
InChIInChI=1S/C8H13NOS/c1-6(2)5-7(10)8-3-4-9-11-8/h3-4,6-7,10H,5H2,1-2H3
InChIKeySWCYNIYHFHLEGB-UHFFFAOYSA-N
XLogP2.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913778
(2-Fluoro-5-iodocyclohexa-1,5-dien-1-yl)-(1,2-thiazol-5-yl)methanol
CID 70943225
(3,3-Difluorocyclopentyl)-(1,2-thiazol-5-yl)methanol
CID 130826100
2-(2,2-Difluoro-1-methylcyclopropyl)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 164652164
4,4-Difluoro-1-(1,2-thiazol-5-yl)cyclohex-2-en-1-ol
CID 165497804
2-(Isothiazol-5-YL)propan-2-OL
CID 45158877
3-Cyclohexyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 59949219
1-(Isothiazol-5-yl)ethan-1-ol
CID 119029079
4-Methyl-1-[2-(1,2-thiazol-5-yl)ethyl]cyclohex-2-en-1-ol
CID 155190878
1-(4-Methylisothiazol-5-yl)ethan-1-ol
CID 164921472
1,1-Bis(1,2-thiazol-5-yl)ethan-1-ol
CID 27282123
(1S)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913777

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol?
The IUPAC name of 3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol (CID 131150994) is 3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol.
What is the SMILES notation for 3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol?
The canonical SMILES for 3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol is CC(C)CC(O)c1ccns1.
What is the InChIKey of 3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol?
The InChIKey is SWCYNIYHFHLEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-6(2)5-7(10)8-3-4-9-11-8/h3-4,6-7,10H,5H2,1-2H3.
What are the key properties of 3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol?
3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol has a molecular weight of 171.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,2-thiazol-5-yl)butan-1-ol is sourced from PubChem (CID 131150994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).