[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanol

C9H15NOS — CID 142473030

IUPAC[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanol
SMILESCc1nc(CC(C)C)c(CO)s1
InChIInChI=1S/C9H15NOS/c1-6(2)4-8-9(5-11)12-7(3)10-8/h6,11H,4-5H2,1-3H3
InChIKeyZZPOZZNDYNOVRS-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.14
Rot. Bonds3

About [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanol

[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanol (PubChem CID 142473030) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanol
PubChem CID142473030
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanol
SMILESCc1nc(CC(C)C)c(CO)s1
InChIInChI=1S/C9H15NOS/c1-6(2)4-8-9(5-11)12-7(3)10-8/h6,11H,4-5H2,1-3H3
InChIKeyZZPOZZNDYNOVRS-UHFFFAOYSA-N
XLogP2.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanol (CID 142473030) is [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanol is Cc1nc(CC(C)C)c(CO)s1.
What is the InChIKey of [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is ZZPOZZNDYNOVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-6(2)4-8-9(5-11)12-7(3)10-8/h6,11H,4-5H2,1-3H3.
What are the key properties of [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanol?
[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 185.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 142473030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).