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

C7H7NOS — CID 130624588

IUPAC3-(3-methyl-1,2-thiazol-5-yl)prop-2-yn-1-ol
SMILESCc1cc(C#CCO)sn1
InChIInChI=1S/C7H7NOS/c1-6-5-7(10-8-6)3-2-4-9/h5,9H,4H2,1H3
InChIKeyBKDARHJSLBMCBT-UHFFFAOYSA-N
MW153.21 g/mol
LogP0.80
Rot. Bonds

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

3-(3-methyl-1,2-thiazol-5-yl)prop-2-yn-1-ol (PubChem CID 130624588) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is 3-(3-methyl-1,2-thiazol-5-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(3-methyl-1,2-thiazol-5-yl)prop-2-yn-1-ol
PubChem CID130624588
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name3-(3-methyl-1,2-thiazol-5-yl)prop-2-yn-1-ol
SMILESCc1cc(C#CCO)sn1
InChIInChI=1S/C7H7NOS/c1-6-5-7(10-8-6)3-2-4-9/h5,9H,4H2,1H3
InChIKeyBKDARHJSLBMCBT-UHFFFAOYSA-N
XLogP0.80
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-methyl-1,2-thiazol-5-yl)prop-2-yn-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-Dimethylisothiazole
CID 574809
3-Methyl-5-prop-1-ynyl-1,2-thiazole
CID 54346384
CID 59269615
CID 59269615
3-(3-Methyl-1,2-thiazol-5-yl)prop-2-ynenitrile
CID 67474541
3-Ethynyl-5-methyl-1,2-thiazole
CID 89053236
5-Ethynyl-3-methyl-1,2-thiazole
CID 118466015
3-Ethyl-5-ethynyl-1,2-thiazole
CID 123761861
5-But-1-ynyl-3-methyl-1,2-thiazole
CID 135142135
3,5-Dimethyl-1,2-thiazole;ethane
CID 141884139
5-But-3-en-1-ynyl-3-methyl-1,2-thiazole
CID 142379201
Ethane;3-ethynyl-5-methyl-1,2-thiazole
CID 145527549
5-(Deuteriomethyl)-3-methyl-1,2-thiazole
CID 157285361

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2-thiazol-5-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(3-methyl-1,2-thiazol-5-yl)prop-2-yn-1-ol (CID 130624588) is 3-(3-methyl-1,2-thiazol-5-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(3-methyl-1,2-thiazol-5-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(3-methyl-1,2-thiazol-5-yl)prop-2-yn-1-ol is Cc1cc(C#CCO)sn1.
What is the InChIKey of 3-(3-methyl-1,2-thiazol-5-yl)prop-2-yn-1-ol?
The InChIKey is BKDARHJSLBMCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c1-6-5-7(10-8-6)3-2-4-9/h5,9H,4H2,1H3.
What are the key properties of 3-(3-methyl-1,2-thiazol-5-yl)prop-2-yn-1-ol?
3-(3-methyl-1,2-thiazol-5-yl)prop-2-yn-1-ol has a molecular weight of 153.21 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2-thiazol-5-yl)prop-2-yn-1-ol is sourced from PubChem (CID 130624588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).