(4-propan-2-yl-1,3-thiazol-2-yl)methanol

C7H11NOS — CID 10678505

IUPAC(4-propan-2-yl-1,3-thiazol-2-yl)methanol
SMILESCC(C)c1csc(CO)n1
InChIInChI=1S/C7H11NOS/c1-5(2)6-4-10-7(3-9)8-6/h4-5,9H,3H2,1-2H3
InChIKeyYJTSEYDGJPGJPR-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.76
Rot. Bonds2

About (4-propan-2-yl-1,3-thiazol-2-yl)methanol

(4-propan-2-yl-1,3-thiazol-2-yl)methanol (PubChem CID 10678505) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is (4-propan-2-yl-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(4-propan-2-yl-1,3-thiazol-2-yl)methanol
PubChem CID10678505
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name(4-propan-2-yl-1,3-thiazol-2-yl)methanol
SMILESCC(C)c1csc(CO)n1
InChIInChI=1S/C7H11NOS/c1-5(2)6-4-10-7(3-9)8-6/h4-5,9H,3H2,1-2H3
InChIKeyYJTSEYDGJPGJPR-UHFFFAOYSA-N
XLogP1.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968635
2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole
CID 22949810
2-(bromomethyl)-4-propan-2-yl-1,3-thiazole
CID 22063597
2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile
CID 43119799
2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-one
CID 70064429
[2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 83967573
2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole
CID 113415629
2-(2-phenylethyl)-4-propan-2-yl-1,3-thiazole
CID 115618223
3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 116969697
2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]ethanol
CID 115087647
ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130
2-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-ol
CID 116865464

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-yl-1,3-thiazol-2-yl)methanol?
The IUPAC name of (4-propan-2-yl-1,3-thiazol-2-yl)methanol (CID 10678505) is (4-propan-2-yl-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (4-propan-2-yl-1,3-thiazol-2-yl)methanol?
The canonical SMILES for (4-propan-2-yl-1,3-thiazol-2-yl)methanol is CC(C)c1csc(CO)n1.
What is the InChIKey of (4-propan-2-yl-1,3-thiazol-2-yl)methanol?
The InChIKey is YJTSEYDGJPGJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-5(2)6-4-10-7(3-9)8-6/h4-5,9H,3H2,1-2H3.
What are the key properties of (4-propan-2-yl-1,3-thiazol-2-yl)methanol?
(4-propan-2-yl-1,3-thiazol-2-yl)methanol has a molecular weight of 157.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-yl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 10678505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).