N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide

C19H17N5OS — CID 17471299

IUPACN-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3ccc4n[nH]nc4c3)n2)cc1C
InChIInChI=1S/C19H17N5OS/c1-10-6-12(3)14(7-11(10)2)17-9-26-19(20-17)21-18(25)13-4-5-15-16(8-13)23-24-22-15/h4-9H,1-3H3,(H,20,21,25)(H,22,23,24)
InChIKeyXFSXSFJIHUNZGW-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.26
Rot. Bonds3

About N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide

N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide (PubChem CID 17471299) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
PubChem CID17471299
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC NameN-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3ccc4n[nH]nc4c3)n2)cc1C
InChIInChI=1S/C19H17N5OS/c1-10-6-12(3)14(7-11(10)2)17-9-26-19(20-17)21-18(25)13-4-5-15-16(8-13)23-24-22-15/h4-9H,1-3H3,(H,20,21,25)(H,22,23,24)
InChIKeyXFSXSFJIHUNZGW-UHFFFAOYSA-N
XLogP4.26
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxo-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
CID 8005265
4-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 5198046
2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696154
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide
CID 41221106
4-(cyclopropylsulfamoyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41189388
N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]quinoxaline-6-carboxamide
CID 17449915
2-methylsulfanyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8871898
3,5-dimethyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 7924782
N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide
CID 18276930
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 24556422
2-(4-bromophenyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4673905
4-acetyl-3,5-dimethyl-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-1H-pyrrole-2-carboxamide
CID 8871994

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide (CID 17471299) is N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide is Cc1cc(C)c(-c2csc(NC(=O)c3ccc4n[nH]nc4c3)n2)cc1C.
What is the InChIKey of N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide?
The InChIKey is XFSXSFJIHUNZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-10-6-12(3)14(7-11(10)2)17-9-26-19(20-17)21-18(25)13-4-5-15-16(8-13)23-24-22-15/h4-9H,1-3H3,(H,20,21,25)(H,22,23,24).
What are the key properties of N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide?
N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide has a molecular weight of 363.45 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 17471299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).