2-(4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol

C9H15NOS — CID 82433495

IUPAC2-(4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol
SMILESCC(C)c1ncsc1C(C)(C)O
InChIInChI=1S/C9H15NOS/c1-6(2)7-8(9(3,4)11)12-5-10-7/h5-6,11H,1-4H3
InChIKeyIZALNNJFJXVMMX-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.49
Rot. Bonds2

About 2-(4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol

2-(4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol (PubChem CID 82433495) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-(4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol
PubChem CID82433495
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2-(4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol
SMILESCC(C)c1ncsc1C(C)(C)O
InChIInChI=1S/C9H15NOS/c1-6(2)7-8(9(3,4)11)12-5-10-7/h5-6,11H,1-4H3
InChIKeyIZALNNJFJXVMMX-UHFFFAOYSA-N
XLogP2.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-propan-2-yl-1,3-thiazole
CID 45121704
5-fluoro-4-propan-2-yl-1,3-thiazole
CID 138494786
4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 13015604
2-[2-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
CID 82433890
5-(bromomethyl)-4-propan-2-yl-1,3-thiazole
CID 59589368
2-(2-pentan-3-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol
CID 82434742
4,5-ditert-butyl-1,3-thiazole
CID 58980037
7-methyl-6-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
CID 139376342
2-[2-(furan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-2-ol
CID 82435103
2-(4-chloro-6-propan-2-yl-3-pyridinyl)propan-2-ol
CID 134598877
N-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide
CID 23548812
4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
CID 76850460

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of 2-(4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol (CID 82433495) is 2-(4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 2-(4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol is CC(C)c1ncsc1C(C)(C)O.
What is the InChIKey of 2-(4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is IZALNNJFJXVMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-6(2)7-8(9(3,4)11)12-5-10-7/h5-6,11H,1-4H3.
What are the key properties of 2-(4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol?
2-(4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol has a molecular weight of 185.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yl-1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 82433495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).