N-ethyl-4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide

C14H16N2OS — CID 53016144

IUPACN-ethyl-4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1sc(-c2cccc(C)c2)nc1C
InChIInChI=1S/C14H16N2OS/c1-4-15-13(17)12-10(3)16-14(18-12)11-7-5-6-9(2)8-11/h5-8H,4H2,1-3H3,(H,15,17)
InChIKeyHNIGBHVFPBAZGL-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.18
Rot. Bonds3

About N-ethyl-4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide

N-ethyl-4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 53016144) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID53016144
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-ethyl-4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)c1sc(-c2cccc(C)c2)nc1C
InChIInChI=1S/C14H16N2OS/c1-4-15-13(17)12-10(3)16-14(18-12)11-7-5-6-9(2)8-11/h5-8H,4H2,1-3H3,(H,15,17)
InChIKeyHNIGBHVFPBAZGL-UHFFFAOYSA-N
XLogP3.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-ethyl-4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide (CID 53016144) is N-ethyl-4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-ethyl-4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide is CCNC(=O)c1sc(-c2cccc(C)c2)nc1C.
What is the InChIKey of N-ethyl-4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HNIGBHVFPBAZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-4-15-13(17)12-10(3)16-14(18-12)11-7-5-6-9(2)8-11/h5-8H,4H2,1-3H3,(H,15,17).
What are the key properties of N-ethyl-4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
N-ethyl-4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53016144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).