trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide

C19H19F3N4O2S — CID 135377453

About trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 135377453) has the molecular formula C19H19F3N4O2S and a molecular weight of 424.45 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide
• PubChem CID: 135377453
• Molecular Formula: C19H19F3N4O2S
• Molecular Weight: 424.45 g/mol
• Exact Mass: 424.12
• IUPAC Name: trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide
• SMILES: Cc1nc(OCC(F)(F)F)sc1C(C)NC(=O)[C@H]1C[C@@H]1c1nc2ccccc2[nH]1
• InChI: InChI=1S/C19H19F3N4O2S/c1-9(15-10(2)24-18(29-15)28-8-19(20,21)22)23-17(27)12-7-11(12)16-25-13-5-3-4-6-14(13)26-16/h3-6,9,11-12H,7-8H2,1-2H3,(H,23,27)(H,25,26)/t9?,11-,12-/m0/s1
• InChIKey: HHJJQQAFAQKAIP-WEBCLNCGSA-N
• XLogP: 4.25
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.45
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide?

The IUPAC name of trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide (CID 135377453) is trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide is Cc1nc(OCC(F)(F)F)sc1C(C)NC(=O)[C@H]1C[C@@H]1c1nc2ccccc2[nH]1.

What is the InChIKey of trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide?

The InChIKey is HHJJQQAFAQKAIP-WEBCLNCGSA-N. The full InChI is InChI=1S/C19H19F3N4O2S/c1-9(15-10(2)24-18(29-15)28-8-19(20,21)22)23-17(27)12-7-11(12)16-25-13-5-3-4-6-14(13)26-16/h3-6,9,11-12H,7-8H2,1-2H3,(H,23,27)(H,25,26)/t9?,11-,12-/m0/s1.

What are the key properties of trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide?

trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 424.45 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 135377453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).