2-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide

C24H16F3N5O2S2 — CID 44530706

IUPAC2-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1ncc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)c2)s1
InChIInChI=1S/C24H16F3N5O2S2/c1-12(33)29-23-28-11-20(36-23)22(34)30-15-4-2-3-13(9-15)18-7-8-19(35-18)21-31-16-6-5-14(24(25,26)27)10-17(16)32-21/h2-11H,1H3,(H,30,34)(H,31,32)(H,28,29,33)
InChIKeyIERXUSWMKYONOG-UHFFFAOYSA-N
MW527.55 g/mol
LogP6.64
Rot. Bonds5

About 2-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide

2-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 44530706) has the molecular formula C24H16F3N5O2S2 and a molecular weight of 527.55 g/mol. Its IUPAC name is 2-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide
PubChem CID44530706
Molecular FormulaC24H16F3N5O2S2
Molecular Weight527.55 g/mol
Exact Mass527.07
IUPAC Name2-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1ncc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)c2)s1
InChIInChI=1S/C24H16F3N5O2S2/c1-12(33)29-23-28-11-20(36-23)22(34)30-15-4-2-3-13(9-15)18-7-8-19(35-18)21-31-16-6-5-14(24(25,26)27)10-17(16)32-21/h2-11H,1H3,(H,30,34)(H,31,32)(H,28,29,33)
InChIKeyIERXUSWMKYONOG-UHFFFAOYSA-N
XLogP6.64
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.55
LogP ≤ 56.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide (CID 44530706) is 2-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide is CC(=O)Nc1ncc(C(=O)Nc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)s3)c2)s1.
What is the InChIKey of 2-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IERXUSWMKYONOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5O2S2/c1-12(33)29-23-28-11-20(36-23)22(34)30-15-4-2-3-13(9-15)18-7-8-19(35-18)21-31-16-6-5-14(24(25,26)27)10-17(16)32-21/h2-11H,1H3,(H,30,34)(H,31,32)(H,28,29,33).
What are the key properties of 2-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide?
2-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 527.55 g/mol, XLogP of 6.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 44530706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).