4-(5-phenyltriazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide

C18H13N5OS — CID 16648878

IUPAC4-(5-phenyltriazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(-n2nncc2-c2ccccc2)cc1
InChIInChI=1S/C18H13N5OS/c24-17(21-18-19-10-11-25-18)14-6-8-15(9-7-14)23-16(12-20-22-23)13-4-2-1-3-5-13/h1-12H,(H,19,21,24)
InChIKeyGUVBEVXLCRMOSQ-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.64
Rot. Bonds4

About 4-(5-phenyltriazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide

4-(5-phenyltriazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 16648878) has the molecular formula C18H13N5OS and a molecular weight of 347.40 g/mol. Its IUPAC name is 4-(5-phenyltriazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(5-phenyltriazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID16648878
Molecular FormulaC18H13N5OS
Molecular Weight347.40 g/mol
Exact Mass347.08
IUPAC Name4-(5-phenyltriazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1ccc(-n2nncc2-c2ccccc2)cc1
InChIInChI=1S/C18H13N5OS/c24-17(21-18-19-10-11-25-18)14-6-8-15(9-7-14)23-16(12-20-22-23)13-4-2-1-3-5-13/h1-12H,(H,19,21,24)
InChIKeyGUVBEVXLCRMOSQ-UHFFFAOYSA-N
XLogP3.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyltriazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(5-phenyltriazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide (CID 16648878) is 4-(5-phenyltriazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(5-phenyltriazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(5-phenyltriazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1ccc(-n2nncc2-c2ccccc2)cc1.
What is the InChIKey of 4-(5-phenyltriazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is GUVBEVXLCRMOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS/c24-17(21-18-19-10-11-25-18)14-6-8-15(9-7-14)23-16(12-20-22-23)13-4-2-1-3-5-13/h1-12H,(H,19,21,24).
What are the key properties of 4-(5-phenyltriazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide?
4-(5-phenyltriazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 347.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyltriazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 16648878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).