N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide

C18H18N2OS2 — CID 7202391

IUPACN-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2nc(C)c(CCNC(=O)c3cccs3)s2)cc1
InChIInChI=1S/C18H18N2OS2/c1-12-5-7-14(8-6-12)18-20-13(2)15(23-18)9-10-19-17(21)16-4-3-11-22-16/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyOVKCOCFPICTEFT-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.46
Rot. Bonds5

About N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide

N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide (PubChem CID 7202391) has the molecular formula C18H18N2OS2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide
PubChem CID7202391
Molecular FormulaC18H18N2OS2
Molecular Weight342.49 g/mol
Exact Mass342.09
IUPAC NameN-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2nc(C)c(CCNC(=O)c3cccs3)s2)cc1
InChIInChI=1S/C18H18N2OS2/c1-12-5-7-14(8-6-12)18-20-13(2)15(23-18)9-10-19-17(21)16-4-3-11-22-16/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyOVKCOCFPICTEFT-UHFFFAOYSA-N
XLogP4.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide (CID 7202391) is N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide is Cc1ccc(-c2nc(C)c(CCNC(=O)c3cccs3)s2)cc1.
What is the InChIKey of N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is OVKCOCFPICTEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS2/c1-12-5-7-14(8-6-12)18-20-13(2)15(23-18)9-10-19-17(21)16-4-3-11-22-16/h3-8,11H,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide?
N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 7202391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).