N-[4-(1,3-thiazol-2-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide

C18H13N5OS — CID 27702237

IUPACN-[4-(1,3-thiazol-2-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H13N5OS/c24-17(13-3-7-16(8-4-13)23-12-19-11-21-23)22-15-5-1-14(2-6-15)18-20-9-10-25-18/h1-12H,(H,22,24)
InChIKeyHQVXMCXPPSWECL-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.64
Rot. Bonds4

About N-[4-(1,3-thiazol-2-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide

N-[4-(1,3-thiazol-2-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 27702237) has the molecular formula C18H13N5OS and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID27702237
Molecular FormulaC18H13N5OS
Molecular Weight347.40 g/mol
Exact Mass347.08
IUPAC NameN-[4-(1,3-thiazol-2-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H13N5OS/c24-17(13-3-7-16(8-4-13)23-12-19-11-21-23)22-15-5-1-14(2-6-15)18-20-9-10-25-18/h1-12H,(H,22,24)
InChIKeyHQVXMCXPPSWECL-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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Related Compounds

4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 60926943
3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 61102206
4-(methylsulfonylmethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37121988
2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 30765929
N-[4-(1,2,4-triazol-1-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 37120372
N-[3-[[4-(1,2,4-triazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 37121591
4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 24648848
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
N-[4-(1,3-thiazol-2-yl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24648839
3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 60927071
3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795595
N-(1,3-benzodioxol-5-yl)-4-(1,2,4-triazol-1-yl)benzamide
CID 22108068

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-thiazol-2-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[4-(1,3-thiazol-2-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide (CID 27702237) is N-[4-(1,3-thiazol-2-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(1,3-thiazol-2-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[4-(1,3-thiazol-2-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide is O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[4-(1,3-thiazol-2-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is HQVXMCXPPSWECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS/c24-17(13-3-7-16(8-4-13)23-12-19-11-21-23)22-15-5-1-14(2-6-15)18-20-9-10-25-18/h1-12H,(H,22,24).
What are the key properties of N-[4-(1,3-thiazol-2-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide?
N-[4-(1,3-thiazol-2-yl)phenyl]-4-(1,2,4-triazol-1-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 N-[4-(1,3-thiazol-2-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 27702237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).