4-methyl-2-(3-phenylprop-2-ynyl)-1,3-thiazole

C13H11NS — CID 138979346

IUPAC4-methyl-2-(3-phenylprop-2-ynyl)-1,3-thiazole
SMILESCc1csc(CC#Cc2ccccc2)n1
InChIInChI=1S/C13H11NS/c1-11-10-15-13(14-11)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10H,9H2,1H3
InChIKeyMBXFNBUTVUABFN-UHFFFAOYSA-N
MW213.31 g/mol
LogP3.05
Rot. Bonds1

About 4-methyl-2-(3-phenylprop-2-ynyl)-1,3-thiazole

4-methyl-2-(3-phenylprop-2-ynyl)-1,3-thiazole (PubChem CID 138979346) has the molecular formula C13H11NS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-methyl-2-(3-phenylprop-2-ynyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(3-phenylprop-2-ynyl)-1,3-thiazole
PubChem CID138979346
Molecular FormulaC13H11NS
Molecular Weight213.31 g/mol
Exact Mass213.06
IUPAC Name4-methyl-2-(3-phenylprop-2-ynyl)-1,3-thiazole
SMILESCc1csc(CC#Cc2ccccc2)n1
InChIInChI=1S/C13H11NS/c1-11-10-15-13(14-11)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10H,9H2,1H3
InChIKeyMBXFNBUTVUABFN-UHFFFAOYSA-N
XLogP3.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 53.05
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-benzyl-4-methyl-1,3-thiazole;ethane
CID 91344843
ethane;(4-methyl-1,3-thiazol-2-yl)methanol
CID 144707130
2-ethyl-4-methyl-1,3-thiazole
CID 27440
1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
CID 62795656
azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661
2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82472251
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanamine
CID 50955634
4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-phenyl-1,3-thiazole
CID 9422762
3-(3-phenylprop-1-ynyl)thiophene
CID 135010577
2-(2-ethyl-1,3-thiazol-4-yl)-N-(3-phenylprop-2-ynyl)acetamide
CID 47378517
4-methyl-2-(prop-2-ynylsulfanylmethyl)-1,3-thiazole
CID 131019687
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-phenylprop-2-ynyl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(3-phenylprop-2-ynyl)-1,3-thiazole (CID 138979346) is 4-methyl-2-(3-phenylprop-2-ynyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(3-phenylprop-2-ynyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(3-phenylprop-2-ynyl)-1,3-thiazole is Cc1csc(CC#Cc2ccccc2)n1.
What is the InChIKey of 4-methyl-2-(3-phenylprop-2-ynyl)-1,3-thiazole?
The InChIKey is MBXFNBUTVUABFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NS/c1-11-10-15-13(14-11)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10H,9H2,1H3.
What are the key properties of 4-methyl-2-(3-phenylprop-2-ynyl)-1,3-thiazole?
4-methyl-2-(3-phenylprop-2-ynyl)-1,3-thiazole has a molecular weight of 213.31 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-phenylprop-2-ynyl)-1,3-thiazole is sourced from PubChem (CID 138979346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).