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

C18H18N4O2S2 — CID 134017616

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

N-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 134017616) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 134017616
• Molecular Formula: C18H18N4O2S2
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.09
• IUPAC Name: N-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: CN(CCc1ccccn1)C(=O)Cc1csc(NC(=O)c2cccs2)n1
• InChI: InChI=1S/C18H18N4O2S2/c1-22(9-7-13-5-2-3-8-19-13)16(23)11-14-12-26-18(20-14)21-17(24)15-6-4-10-25-15/h2-6,8,10,12H,7,9,11H2,1H3,(H,20,21,24)
• InChIKey: ZDOQERWPDLAXHD-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 134017616) is N-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

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

The canonical SMILES for N-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is CN(CCc1ccccn1)C(=O)Cc1csc(NC(=O)c2cccs2)n1.

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

The InChIKey is ZDOQERWPDLAXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-22(9-7-13-5-2-3-8-19-13)16(23)11-14-12-26-18(20-14)21-17(24)15-6-4-10-25-15/h2-6,8,10,12H,7,9,11H2,1H3,(H,20,21,24).

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

N-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 134017616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).