2-acetamido-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide

C26H21N5O2S — CID 44530704

IUPAC2-acetamido-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1ncc(C(=O)Nc2cccc(-c3ccc(-c4nc5c(C)cccc5[nH]4)cc3)c2)s1
InChIInChI=1S/C26H21N5O2S/c1-15-5-3-8-21-23(15)31-24(30-21)18-11-9-17(10-12-18)19-6-4-7-20(13-19)29-25(33)22-14-27-26(34-22)28-16(2)32/h3-14H,1-2H3,(H,29,33)(H,30,31)(H,27,28,32)
InChIKeyFQYXBBSMOZLQQR-UHFFFAOYSA-N
MW467.55 g/mol
LogP5.87
Rot. Bonds5

About 2-acetamido-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide

2-acetamido-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 44530704) has the molecular formula C26H21N5O2S and a molecular weight of 467.55 g/mol. Its IUPAC name is 2-acetamido-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide
PubChem CID44530704
Molecular FormulaC26H21N5O2S
Molecular Weight467.55 g/mol
Exact Mass467.14
IUPAC Name2-acetamido-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1ncc(C(=O)Nc2cccc(-c3ccc(-c4nc5c(C)cccc5[nH]4)cc3)c2)s1
InChIInChI=1S/C26H21N5O2S/c1-15-5-3-8-21-23(15)31-24(30-21)18-11-9-17(10-12-18)19-6-4-7-20(13-19)29-25(33)22-14-27-26(34-22)28-16(2)32/h3-14H,1-2H3,(H,29,33)(H,30,31)(H,27,28,32)
InChIKeyFQYXBBSMOZLQQR-UHFFFAOYSA-N
XLogP5.87
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-acetamido-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide (CID 44530704) is 2-acetamido-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-acetamido-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-acetamido-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide is CC(=O)Nc1ncc(C(=O)Nc2cccc(-c3ccc(-c4nc5c(C)cccc5[nH]4)cc3)c2)s1.
What is the InChIKey of 2-acetamido-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FQYXBBSMOZLQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2S/c1-15-5-3-8-21-23(15)31-24(30-21)18-11-9-17(10-12-18)19-6-4-7-20(13-19)29-25(33)22-14-27-26(34-22)28-16(2)32/h3-14H,1-2H3,(H,29,33)(H,30,31)(H,27,28,32).
What are the key properties of 2-acetamido-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide?
2-acetamido-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 5.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[3-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 44530704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).