1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol

C7H13NOS — CID 57261095

IUPAC1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol
SMILESCC1=CSCN1CC(C)O
InChIInChI=1S/C7H13NOS/c1-6-4-10-5-8(6)3-7(2)9/h4,7,9H,3,5H2,1-2H3
InChIKeyHKGSWHQQUMKWIT-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.23
Rot. Bonds2

About 1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol

1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol (PubChem CID 57261095) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol
PubChem CID57261095
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol
SMILESCC1=CSCN1CC(C)O
InChIInChI=1S/C7H13NOS/c1-6-4-10-5-8(6)3-7(2)9/h4,7,9H,3,5H2,1-2H3
InChIKeyHKGSWHQQUMKWIT-UHFFFAOYSA-N
XLogP1.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Fluoro-2-hydroxypropyl)-4-methyl-2,3-dihydro-1,3-thiazol-2-one
CID 165595264
2-methyl-1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol
CID 91803400
2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrochloride
CID 141259282
1-[4-(hydroxymethyl)-2H-1,3-thiazol-3-yl]-2-methylpropan-2-ol
CID 141718265
1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol;dihydrochloride
CID 173331337
2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrate
CID 174622114
3-(2-Hydroxyethyl)-4-methyl-1,3-thiazole-2-thione
CID 14093928
3-(2-Hydroxypropyl)-4-methyl-1,3-thiazol-2-one
CID 60884269
3-(3-Hydroxybutan-2-yl)-4-methyl-1,3-thiazol-2-one
CID 80069881
2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol
CID 141259283

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol?
The IUPAC name of 1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol (CID 57261095) is 1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol?
The canonical SMILES for 1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol is CC1=CSCN1CC(C)O.
What is the InChIKey of 1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol?
The InChIKey is HKGSWHQQUMKWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-6-4-10-5-8(6)3-7(2)9/h4,7,9H,3,5H2,1-2H3.
What are the key properties of 1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol?
1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol has a molecular weight of 159.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol is sourced from PubChem (CID 57261095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).