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

C19H19N3O2S2 — CID 38035313

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

N-[4-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 38035313) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[4-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 38035313
• Molecular Formula: C19H19N3O2S2
• Molecular Weight: 385.51 g/mol
• Exact Mass: 385.09
• IUPAC Name: N-[4-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: Cc1ccccc1CN(C)C(=O)Cc1csc(NC(=O)c2cccs2)n1
• InChI: InChI=1S/C19H19N3O2S2/c1-13-6-3-4-7-14(13)11-22(2)17(23)10-15-12-26-19(20-15)21-18(24)16-8-5-9-25-16/h3-9,12H,10-11H2,1-2H3,(H,20,21,24)
• InChIKey: MQYPHGABBRDODV-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.51
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[4-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 38035313) is N-[4-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is Cc1ccccc1CN(C)C(=O)Cc1csc(NC(=O)c2cccs2)n1.

What is the InChIKey of N-[4-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is MQYPHGABBRDODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-13-6-3-4-7-14(13)11-22(2)17(23)10-15-12-26-19(20-15)21-18(24)16-8-5-9-25-16/h3-9,12H,10-11H2,1-2H3,(H,20,21,24).

What are the key properties of N-[4-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

N-[4-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 38035313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).