2-(2,4-dimethylphenyl)-N-prop-2-ynyl-1,3-thiazole-5-carboxamide

C15H14N2OS — CID 49015979

IUPAC2-(2,4-dimethylphenyl)-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
SMILESC#CCNC(=O)c1cnc(-c2ccc(C)cc2C)s1
InChIInChI=1S/C15H14N2OS/c1-4-7-16-14(18)13-9-17-15(19-13)12-6-5-10(2)8-11(12)3/h1,5-6,8-9H,7H2,2-3H3,(H,16,18)
InChIKeyWSFRSUUQUUIVMT-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.79
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-N-prop-2-ynyl-1,3-thiazole-5-carboxamide

2-(2,4-dimethylphenyl)-N-prop-2-ynyl-1,3-thiazole-5-carboxamide (PubChem CID 49015979) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-prop-2-ynyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
PubChem CID49015979
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-(2,4-dimethylphenyl)-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
SMILESC#CCNC(=O)c1cnc(-c2ccc(C)cc2C)s1
InChIInChI=1S/C15H14N2OS/c1-4-7-16-14(18)13-9-17-15(19-13)12-6-5-10(2)8-11(12)3/h1,5-6,8-9H,7H2,2-3H3,(H,16,18)
InChIKeyWSFRSUUQUUIVMT-UHFFFAOYSA-N
XLogP2.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-prop-2-ynyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-prop-2-ynyl-1,3-thiazole-5-carboxamide (CID 49015979) is 2-(2,4-dimethylphenyl)-N-prop-2-ynyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-prop-2-ynyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-prop-2-ynyl-1,3-thiazole-5-carboxamide is C#CCNC(=O)c1cnc(-c2ccc(C)cc2C)s1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-prop-2-ynyl-1,3-thiazole-5-carboxamide?
The InChIKey is WSFRSUUQUUIVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-4-7-16-14(18)13-9-17-15(19-13)12-6-5-10(2)8-11(12)3/h1,5-6,8-9H,7H2,2-3H3,(H,16,18).
What are the key properties of 2-(2,4-dimethylphenyl)-N-prop-2-ynyl-1,3-thiazole-5-carboxamide?
2-(2,4-dimethylphenyl)-N-prop-2-ynyl-1,3-thiazole-5-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-prop-2-ynyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49015979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).