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

C14H14N6OS2 — CID 91606298

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

N-[5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide (PubChem CID 91606298) has the molecular formula C14H14N6OS2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
• PubChem CID: 91606298
• Molecular Formula: C14H14N6OS2
• Molecular Weight: 346.44 g/mol
• Exact Mass: 346.07
• IUPAC Name: N-[5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide
• SMILES: Cc1nc(NC(=O)n2ccnc2)sc1-c1csc(NC2CC2)n1
• InChI: InChI=1S/C14H14N6OS2/c1-8-11(10-6-22-12(18-10)17-9-2-3-9)23-13(16-8)19-14(21)20-5-4-15-7-20/h4-7,9H,2-3H2,1H3,(H,17,18)(H,16,19,21)
• InChIKey: WQHOMUREMRJLEP-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.44
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide (CID 91606298) is N-[5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide.

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

The canonical SMILES for N-[5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide is Cc1nc(NC(=O)n2ccnc2)sc1-c1csc(NC2CC2)n1.

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

The InChIKey is WQHOMUREMRJLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS2/c1-8-11(10-6-22-12(18-10)17-9-2-3-9)23-13(16-8)19-14(21)20-5-4-15-7-20/h4-7,9H,2-3H2,1H3,(H,17,18)(H,16,19,21).

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

N-[5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]imidazole-1-carboxamide is sourced from PubChem (CID 91606298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).