1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-yn-1-ol

C8H9NOS — CID 130175703

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-yn-1-ol
SMILESC#CC(O)c1sc(C)nc1C
InChIInChI=1S/C8H9NOS/c1-4-7(10)8-5(2)9-6(3)11-8/h1,7,10H,2-3H3
InChIKeyKWCZCIGJFWYXLZ-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.43
Rot. Bonds1

About 1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-yn-1-ol

1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-yn-1-ol (PubChem CID 130175703) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-yn-1-ol
PubChem CID130175703
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-yn-1-ol
SMILESC#CC(O)c1sc(C)nc1C
InChIInChI=1S/C8H9NOS/c1-4-7(10)8-5(2)9-6(3)11-8/h1,7,10H,2-3H3
InChIKeyKWCZCIGJFWYXLZ-UHFFFAOYSA-N
XLogP1.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dimethyl-1,3-thiazol-5-yl)propan-1-ol
CID 82630324
1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 19805509
2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyacetonitrile
CID 130848602
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
3-amino-1-(2,4-dimethyl-1,3-thiazol-5-yl)propane-1,2-diol
CID 170827544
methyl 2-(2,4-dimethyl-1,3-thiazol-5-yl)-3-methylbutanoate
CID 116887286
2-(2,4-dimethyl-1,3-thiazol-5-yl)butanenitrile
CID 116887293
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutan-2-ol
CID 115720451
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-ethylthiourea
CID 115588039
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropanecarboxamide
CID 47317373
2-(2,4-dimethyl-1,3-thiazol-5-yl)butan-1-amine
CID 116887192
(3,5-dimethylcyclohexyl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine
CID 114033768

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-yn-1-ol?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-yn-1-ol (CID 130175703) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-yn-1-ol.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-yn-1-ol?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-yn-1-ol is C#CC(O)c1sc(C)nc1C.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-yn-1-ol?
The InChIKey is KWCZCIGJFWYXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c1-4-7(10)8-5(2)9-6(3)11-8/h1,7,10H,2-3H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-yn-1-ol?
1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-yn-1-ol has a molecular weight of 167.23 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)prop-2-yn-1-ol is sourced from PubChem (CID 130175703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).