3-cyano-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide

C19H13N5OS — CID 127042533

IUPAC3-cyano-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCn1c(-c2cnc(NC(=O)c3cccc(C#N)c3)s2)nc2ccccc21
InChIInChI=1S/C19H13N5OS/c1-24-15-8-3-2-7-14(15)22-17(24)16-11-21-19(26-16)23-18(25)13-6-4-5-12(9-13)10-20/h2-9,11H,1H3,(H,21,23,25)
InChIKeyXSQPRYDEYGCIAC-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.82
Rot. Bonds3

About 3-cyano-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide

3-cyano-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 127042533) has the molecular formula C19H13N5OS and a molecular weight of 359.41 g/mol. Its IUPAC name is 3-cyano-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID127042533
Molecular FormulaC19H13N5OS
Molecular Weight359.41 g/mol
Exact Mass359.08
IUPAC Name3-cyano-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESCn1c(-c2cnc(NC(=O)c3cccc(C#N)c3)s2)nc2ccccc21
InChIInChI=1S/C19H13N5OS/c1-24-15-8-3-2-7-14(15)22-17(24)16-11-21-19(26-16)23-18(25)13-6-4-5-12(9-13)10-20/h2-9,11H,1H3,(H,21,23,25)
InChIKeyXSQPRYDEYGCIAC-UHFFFAOYSA-N
XLogP3.82
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide (CID 127042533) is 3-cyano-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide is Cn1c(-c2cnc(NC(=O)c3cccc(C#N)c3)s2)nc2ccccc21.
What is the InChIKey of 3-cyano-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is XSQPRYDEYGCIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5OS/c1-24-15-8-3-2-7-14(15)22-17(24)16-11-21-19(26-16)23-18(25)13-6-4-5-12(9-13)10-20/h2-9,11H,1H3,(H,21,23,25).
What are the key properties of 3-cyano-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide?
3-cyano-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 359.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 127042533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).