N-[4-methyl-5-[2-(morpholine-4-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide

C16H16N6O3S2 — CID 59465567

About N-[4-methyl-5-[2-(morpholine-4-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide

N-[4-methyl-5-[2-(morpholine-4-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide (PubChem CID 59465567) has the molecular formula C16H16N6O3S2 and a molecular weight of 404.48 g/mol. Its IUPAC name is N-[4-methyl-5-[2-(morpholine-4-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-methyl-5-[2-(morpholine-4-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
• PubChem CID: 59465567
• Molecular Formula: C16H16N6O3S2
• Molecular Weight: 404.48 g/mol
• Exact Mass: 404.07
• IUPAC Name: N-[4-methyl-5-[2-(morpholine-4-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
• SMILES: Cc1nc(NC(=O)n2ccnc2)sc1-c1csc(C(=O)N2CCOCC2)n1
• InChI: InChI=1S/C16H16N6O3S2/c1-10-12(27-15(18-10)20-16(24)22-3-2-17-9-22)11-8-26-13(19-11)14(23)21-4-6-25-7-5-21/h2-3,8-9H,4-7H2,1H3,(H,18,20,24)
• InChIKey: LCRMBKRDGHPHBQ-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 102.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.48
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[2-(morpholine-4-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide?

The IUPAC name of N-[4-methyl-5-[2-(morpholine-4-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide (CID 59465567) is N-[4-methyl-5-[2-(morpholine-4-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide.

What is the SMILES notation for N-[4-methyl-5-[2-(morpholine-4-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide?

The canonical SMILES for N-[4-methyl-5-[2-(morpholine-4-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide is Cc1nc(NC(=O)n2ccnc2)sc1-c1csc(C(=O)N2CCOCC2)n1.

What is the InChIKey of N-[4-methyl-5-[2-(morpholine-4-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide?

The InChIKey is LCRMBKRDGHPHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S2/c1-10-12(27-15(18-10)20-16(24)22-3-2-17-9-22)11-8-26-13(19-11)14(23)21-4-6-25-7-5-21/h2-3,8-9H,4-7H2,1H3,(H,18,20,24).

What are the key properties of N-[4-methyl-5-[2-(morpholine-4-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide?

N-[4-methyl-5-[2-(morpholine-4-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide has a molecular weight of 404.48 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-5-[2-(morpholine-4-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide is sourced from PubChem (CID 59465567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).