4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C18H17N3O2S2 — CID 32915631

IUPAC4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2sc(-c3ccsc3)nc2C)c1
InChIInChI=1S/C18H17N3O2S2/c1-11-15(25-18(21-11)14-6-7-24-10-14)17(23)20-9-12-4-3-5-13(8-12)16(22)19-2/h3-8,10H,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyLEAHXDWMFILHQS-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.47
Rot. Bonds5

About 4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 32915631) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID32915631
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC Name4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2sc(-c3ccsc3)nc2C)c1
InChIInChI=1S/C18H17N3O2S2/c1-11-15(25-18(21-11)14-6-7-24-10-14)17(23)20-9-12-4-3-5-13(8-12)16(22)19-2/h3-8,10H,9H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyLEAHXDWMFILHQS-UHFFFAOYSA-N
XLogP3.47
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 91766936
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46424700
4-methyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8533303
N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 9078887
N-[(3-carbamoylphenyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55872207
N-(2-methoxyethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17489055
N-methyl-3-[[[N'-methyl-N-(thiophen-3-ylmethyl)carbamimidoyl]amino]methyl]benzamide
CID 111940417
N-(2-chloroprop-2-enyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115636535
N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 51237481
N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 71890376
N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115744537
N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46628023

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 32915631) is 4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is CNC(=O)c1cccc(CNC(=O)c2sc(-c3ccsc3)nc2C)c1.
What is the InChIKey of 4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is LEAHXDWMFILHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-11-15(25-18(21-11)14-6-7-24-10-14)17(23)20-9-12-4-3-5-13(8-12)16(22)19-2/h3-8,10H,9H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 32915631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).