5-methyl-2-phenyl-4-(4-prop-2-ynylphenyl)-1,3-thiazole

C19H15NS — CID 59871677

IUPAC5-methyl-2-phenyl-4-(4-prop-2-ynylphenyl)-1,3-thiazole
SMILESC#CCc1ccc(-c2nc(-c3ccccc3)sc2C)cc1
InChIInChI=1S/C19H15NS/c1-3-7-15-10-12-16(13-11-15)18-14(2)21-19(20-18)17-8-5-4-6-9-17/h1,4-6,8-13H,7H2,2H3
InChIKeyCGYROCVNBPTAPU-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.96
Rot. Bonds3

About 5-methyl-2-phenyl-4-(4-prop-2-ynylphenyl)-1,3-thiazole

5-methyl-2-phenyl-4-(4-prop-2-ynylphenyl)-1,3-thiazole (PubChem CID 59871677) has the molecular formula C19H15NS and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4-(4-prop-2-ynylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-phenyl-4-(4-prop-2-ynylphenyl)-1,3-thiazole
PubChem CID59871677
Molecular FormulaC19H15NS
Molecular Weight289.40 g/mol
Exact Mass289.09
IUPAC Name5-methyl-2-phenyl-4-(4-prop-2-ynylphenyl)-1,3-thiazole
SMILESC#CCc1ccc(-c2nc(-c3ccccc3)sc2C)cc1
InChIInChI=1S/C19H15NS/c1-3-7-15-10-12-16(13-11-15)18-14(2)21-19(20-18)17-8-5-4-6-9-17/h1,4-6,8-13H,7H2,2H3
InChIKeyCGYROCVNBPTAPU-UHFFFAOYSA-N
XLogP4.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazole
CID 3617286
2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole
CID 78907473
5-chloro-4-(4-methylphenyl)-2-phenyl-1,3-thiazole
CID 45113674
3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)phenol
CID 28942281
2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline
CID 60707088
3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108769928
2-tert-butyl-5-methyl-4-phenyl-1,3-thiazole
CID 55645362
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
3-chloro-2,2-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108769918
4-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108769922
2,2,2-trifluoro-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108769917
2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108779589

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4-(4-prop-2-ynylphenyl)-1,3-thiazole?
The IUPAC name of 5-methyl-2-phenyl-4-(4-prop-2-ynylphenyl)-1,3-thiazole (CID 59871677) is 5-methyl-2-phenyl-4-(4-prop-2-ynylphenyl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-phenyl-4-(4-prop-2-ynylphenyl)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-phenyl-4-(4-prop-2-ynylphenyl)-1,3-thiazole is C#CCc1ccc(-c2nc(-c3ccccc3)sc2C)cc1.
What is the InChIKey of 5-methyl-2-phenyl-4-(4-prop-2-ynylphenyl)-1,3-thiazole?
The InChIKey is CGYROCVNBPTAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NS/c1-3-7-15-10-12-16(13-11-15)18-14(2)21-19(20-18)17-8-5-4-6-9-17/h1,4-6,8-13H,7H2,2H3.
What are the key properties of 5-methyl-2-phenyl-4-(4-prop-2-ynylphenyl)-1,3-thiazole?
5-methyl-2-phenyl-4-(4-prop-2-ynylphenyl)-1,3-thiazole has a molecular weight of 289.40 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4-(4-prop-2-ynylphenyl)-1,3-thiazole is sourced from PubChem (CID 59871677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).