N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C17H15N5O2S2 — CID 90571121

About N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 90571121) has the molecular formula C17H15N5O2S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
• PubChem CID: 90571121
• Molecular Formula: C17H15N5O2S2
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.07
• IUPAC Name: N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1cc(NC(=O)c2sc(C)nc2C)n(-c2nc(-c3ccco3)cs2)n1
• InChI: InChI=1S/C17H15N5O2S2/c1-9-7-14(20-16(23)15-10(2)18-11(3)26-15)22(21-9)17-19-12(8-25-17)13-5-4-6-24-13/h4-8H,1-3H3,(H,20,23)
• InChIKey: SUURMRHLEMCTGE-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 90571121) is N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1cc(NC(=O)c2sc(C)nc2C)n(-c2nc(-c3ccco3)cs2)n1.

What is the InChIKey of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?

The InChIKey is SUURMRHLEMCTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S2/c1-9-7-14(20-16(23)15-10(2)18-11(3)26-15)22(21-9)17-19-12(8-25-17)13-5-4-6-24-13/h4-8H,1-3H3,(H,20,23).

What are the key properties of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?

N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90571121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).