cis-(1S,2R)-2-(2-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

C23H19FN4OS — CID 97184901

About cis-(1S,2R)-2-(2-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-(2-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 97184901) has the molecular formula C23H19FN4OS and a molecular weight of 418.50 g/mol. Its IUPAC name is cis-(1S,2R)-2-(2-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,2R)-2-(2-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
• PubChem CID: 97184901
• Molecular Formula: C23H19FN4OS
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.13
• IUPAC Name: cis-(1S,2R)-2-(2-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
• SMILES: Cn1ccnc1-c1sc(NC(=O)[C@H]2C[C@H]2c2ccccc2F)nc1-c1ccccc1
• InChI: InChI=1S/C23H19FN4OS/c1-28-12-11-25-21(28)20-19(14-7-3-2-4-8-14)26-23(30-20)27-22(29)17-13-16(17)15-9-5-6-10-18(15)24/h2-12,16-17H,13H2,1H3,(H,26,27,29)/t16-,17-/m0/s1
• InChIKey: XCXGUKFPHZZQDX-IRXDYDNUSA-N
• XLogP: 5.09
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.50
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(2-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?

The IUPAC name of cis-(1S,2R)-2-(2-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (CID 97184901) is cis-(1S,2R)-2-(2-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1S,2R)-2-(2-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1S,2R)-2-(2-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is Cn1ccnc1-c1sc(NC(=O)[C@H]2C[C@H]2c2ccccc2F)nc1-c1ccccc1.

What is the InChIKey of cis-(1S,2R)-2-(2-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?

The InChIKey is XCXGUKFPHZZQDX-IRXDYDNUSA-N. The full InChI is InChI=1S/C23H19FN4OS/c1-28-12-11-25-21(28)20-19(14-7-3-2-4-8-14)26-23(30-20)27-22(29)17-13-16(17)15-9-5-6-10-18(15)24/h2-12,16-17H,13H2,1H3,(H,26,27,29)/t16-,17-/m0/s1.

What are the key properties of cis-(1S,2R)-2-(2-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?

cis-(1S,2R)-2-(2-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2R)-2-(2-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97184901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).