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

C19H17N5OS — CID 71795491

IUPACN-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2H-benzotriazole-5-carboxamide
SMILESCc1ccccc1-c1nc(C)c(CNC(=O)c2ccc3n[nH]nc3c2)s1
InChIInChI=1S/C19H17N5OS/c1-11-5-3-4-6-14(11)19-21-12(2)17(26-19)10-20-18(25)13-7-8-15-16(9-13)23-24-22-15/h3-9H,10H2,1-2H3,(H,20,25)(H,22,23,24)
InChIKeyICDZXEVEJUJHGM-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.63
Rot. Bonds4

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

N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2H-benzotriazole-5-carboxamide (PubChem CID 71795491) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2H-benzotriazole-5-carboxamide
PubChem CID71795491
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC NameN-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2H-benzotriazole-5-carboxamide
SMILESCc1ccccc1-c1nc(C)c(CNC(=O)c2ccc3n[nH]nc3c2)s1
InChIInChI=1S/C19H17N5OS/c1-11-5-3-4-6-14(11)19-21-12(2)17(26-19)10-20-18(25)13-7-8-15-16(9-13)23-24-22-15/h3-9H,10H2,1-2H3,(H,20,25)(H,22,23,24)
InChIKeyICDZXEVEJUJHGM-UHFFFAOYSA-N
XLogP3.63
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2H-benzotriazole-5-carboxamide (CID 71795491) is N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2H-benzotriazole-5-carboxamide is Cc1ccccc1-c1nc(C)c(CNC(=O)c2ccc3n[nH]nc3c2)s1.
What is the InChIKey of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is ICDZXEVEJUJHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-11-5-3-4-6-14(11)19-21-12(2)17(26-19)10-20-18(25)13-7-8-15-16(9-13)23-24-22-15/h3-9H,10H2,1-2H3,(H,20,25)(H,22,23,24).
What are the key properties of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2H-benzotriazole-5-carboxamide?
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 363.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 71795491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).