4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen

C13H13NS — CID 178063099

IUPAC4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen
SMILESC#CCc1ccc(-c2scnc2C)cc1.[H][H]
InChIInChI=1S/C13H11NS.H2/c1-3-4-11-5-7-12(8-6-11)13-10(2)14-9-15-13;/h1,5-9H,4H2,2H3;1H
InChIKeyDUWMEFCZJAKYRJ-UHFFFAOYSA-N
MW215.32 g/mol
LogP3.54
Rot. Bonds2

About 4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen

4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen (PubChem CID 178063099) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen.

Molecular Properties

Compound Name4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen
PubChem CID178063099
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen
SMILESC#CCc1ccc(-c2scnc2C)cc1.[H][H]
InChIInChI=1S/C13H11NS.H2/c1-3-4-11-5-7-12(8-6-11)13-10(2)14-9-15-13;/h1,5-9H,4H2,2H3;1H
InChIKeyDUWMEFCZJAKYRJ-UHFFFAOYSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen 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

[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride
CID 131801125
ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 156851577
N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 155154777
N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine
CID 153380249
methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168910064
2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol
CID 167256669
(2S)-2-(methylamino)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanal
CID 166916364
carbanide;chromium(4+);2-methanidylbutane;[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylazanide
CID 170582037
N-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]methanamine
CID 142573108
2-[(ethynylamino)methyl]-5-(4-methyl-1,3-thiazol-5-yl)phenol
CID 174303519
4-methyl-5-[4-[(4-methylpyrrolidin-2-yl)methyl]phenyl]-1,3-thiazole
CID 171106593
(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethane-1,1-diol
CID 178069167

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen?
The IUPAC name of 4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen (CID 178063099) is 4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen.
What is the SMILES notation for 4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen?
The canonical SMILES for 4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen is C#CCc1ccc(-c2scnc2C)cc1.[H][H].
What is the InChIKey of 4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen?
The InChIKey is DUWMEFCZJAKYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NS.H2/c1-3-4-11-5-7-12(8-6-11)13-10(2)14-9-15-13;/h1,5-9H,4H2,2H3;1H.
What are the key properties of 4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen?
4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen has a molecular weight of 215.32 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen is sourced from PubChem (CID 178063099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).