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

C13H16N2OS2 — CID 47138313

IUPAC5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCc2nc(C)cs2)cc1C
InChIInChI=1S/C13H16N2OS2/c1-4-10-8(2)5-11(18-10)13(16)14-6-12-15-9(3)7-17-12/h5,7H,4,6H2,1-3H3,(H,14,16)
InChIKeyQLTFZKVIXHWSCE-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.31
Rot. Bonds4

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

5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 47138313) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide
PubChem CID47138313
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NCc2nc(C)cs2)cc1C
InChIInChI=1S/C13H16N2OS2/c1-4-10-8(2)5-11(18-10)13(16)14-6-12-15-9(3)7-17-12/h5,7H,4,6H2,1-3H3,(H,14,16)
InChIKeyQLTFZKVIXHWSCE-UHFFFAOYSA-N
XLogP3.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dibromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide
CID 51291417
5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 60722044
3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709417
5-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-carboxamide
CID 63858903
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiadiazole-5-carboxamide
CID 37156613
2-[carboxymethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid
CID 63644619
2-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 62856861
ethyl 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-3-oxopropanoate
CID 110465416
N'-[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 8812427
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
2-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid
CID 54962820

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide (CID 47138313) is 5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide is CCc1sc(C(=O)NCc2nc(C)cs2)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is QLTFZKVIXHWSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-4-10-8(2)5-11(18-10)13(16)14-6-12-15-9(3)7-17-12/h5,7H,4,6H2,1-3H3,(H,14,16).
What are the key properties of 5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide?
5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 47138313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).