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

C14H13N5OS — CID 18128698

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(-n3cncn3)cc2)sc1C
InChIInChI=1S/C14H13N5OS/c1-9-10(2)21-14(17-9)18-13(20)11-3-5-12(6-4-11)19-8-15-7-16-19/h3-8H,1-2H3,(H,17,18,20)
InChIKeyJLGBNYQKHPBJQW-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.59
Rot. Bonds3

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 18128698) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID18128698
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(-n3cncn3)cc2)sc1C
InChIInChI=1S/C14H13N5OS/c1-9-10(2)21-14(17-9)18-13(20)11-3-5-12(6-4-11)19-8-15-7-16-19/h3-8H,1-2H3,(H,17,18,20)
InChIKeyJLGBNYQKHPBJQW-UHFFFAOYSA-N
XLogP2.59
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide
CID 55046054
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006852
N-(2-methyl-5-nitrophenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 51192107
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 693380
N-(2-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 51192150
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride
CID 110756954
6-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62061155
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 3464746
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 78803523
4-(cyclopropanecarbonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
CID 18128666
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
2,4-dimethyl-N'-[4-(1,2,4-triazol-1-yl)benzoyl]benzohydrazide
CID 24513990

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,2,4-triazol-1-yl)benzamide (CID 18128698) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,2,4-triazol-1-yl)benzamide is Cc1nc(NC(=O)c2ccc(-n3cncn3)cc2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is JLGBNYQKHPBJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-9-10(2)21-14(17-9)18-13(20)11-3-5-12(6-4-11)19-8-15-7-16-19/h3-8H,1-2H3,(H,17,18,20).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,2,4-triazol-1-yl)benzamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 299.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 18128698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).