2-(2-methylpropyl)-1,3-thiazol-4-ol

C7H11NOS — CID 116889729

IUPAC2-(2-methylpropyl)-1,3-thiazol-4-ol
SMILESCC(C)Cc1nc(O)cs1
InChIInChI=1S/C7H11NOS/c1-5(2)3-7-8-6(9)4-10-7/h4-5,9H,3H2,1-2H3
InChIKeyAJRBDXWJMSCMNR-UHFFFAOYSA-N
MW157.24 g/mol
LogP2.05
Rot. Bonds2

About 2-(2-methylpropyl)-1,3-thiazol-4-ol

2-(2-methylpropyl)-1,3-thiazol-4-ol (PubChem CID 116889729) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(2-methylpropyl)-1,3-thiazol-4-ol
PubChem CID116889729
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name2-(2-methylpropyl)-1,3-thiazol-4-ol
SMILESCC(C)Cc1nc(O)cs1
InChIInChI=1S/C7H11NOS/c1-5(2)3-7-8-6(9)4-10-7/h4-5,9H,3H2,1-2H3
InChIKeyAJRBDXWJMSCMNR-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(2-methylpropyl)-1,3-thiazol-4-ol (CID 116889729) is 2-(2-methylpropyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(2-methylpropyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(2-methylpropyl)-1,3-thiazol-4-ol is CC(C)Cc1nc(O)cs1.
What is the InChIKey of 2-(2-methylpropyl)-1,3-thiazol-4-ol?
The InChIKey is AJRBDXWJMSCMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-5(2)3-7-8-6(9)4-10-7/h4-5,9H,3H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-1,3-thiazol-4-ol?
2-(2-methylpropyl)-1,3-thiazol-4-ol has a molecular weight of 157.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 116889729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).