N-[5-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide

C18H11N5OS — CID 127041240

IUPACN-[5-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2ncc(-c3nc4ccccc4[nH]3)s2)c1
InChIInChI=1S/C18H11N5OS/c19-9-11-4-3-5-12(8-11)17(24)23-18-20-10-15(25-18)16-21-13-6-1-2-7-14(13)22-16/h1-8,10H,(H,21,22)(H,20,23,24)
InChIKeyRTHSEVGWSBDFFR-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.81
Rot. Bonds3

About N-[5-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide

N-[5-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide (PubChem CID 127041240) has the molecular formula C18H11N5OS and a molecular weight of 345.39 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide
PubChem CID127041240
Molecular FormulaC18H11N5OS
Molecular Weight345.39 g/mol
Exact Mass345.07
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2ncc(-c3nc4ccccc4[nH]3)s2)c1
InChIInChI=1S/C18H11N5OS/c19-9-11-4-3-5-12(8-11)17(24)23-18-20-10-15(25-18)16-21-13-6-1-2-7-14(13)22-16/h1-8,10H,(H,21,22)(H,20,23,24)
InChIKeyRTHSEVGWSBDFFR-UHFFFAOYSA-N
XLogP3.81
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide (CID 127041240) is N-[5-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide is N#Cc1cccc(C(=O)Nc2ncc(-c3nc4ccccc4[nH]3)s2)c1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide?
The InChIKey is RTHSEVGWSBDFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5OS/c19-9-11-4-3-5-12(8-11)17(24)23-18-20-10-15(25-18)16-21-13-6-1-2-7-14(13)22-16/h1-8,10H,(H,21,22)(H,20,23,24).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide?
N-[5-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide has a molecular weight of 345.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide is sourced from PubChem (CID 127041240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).