N-benzyl-2-(1-benzyltriazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide

C21H19N5OS — CID 24962977

IUPACN-benzyl-2-(1-benzyltriazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cn(Cc3ccccc3)nn2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C21H19N5OS/c1-15-19(20(27)22-12-16-8-4-2-5-9-16)28-21(23-15)18-14-26(25-24-18)13-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,22,27)
InChIKeyFNRATZPGWXUVAU-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.69
Rot. Bonds6

About N-benzyl-2-(1-benzyltriazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-benzyl-2-(1-benzyltriazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 24962977) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is N-benzyl-2-(1-benzyltriazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(1-benzyltriazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID24962977
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC NameN-benzyl-2-(1-benzyltriazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cn(Cc3ccccc3)nn2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C21H19N5OS/c1-15-19(20(27)22-12-16-8-4-2-5-9-16)28-21(23-15)18-14-26(25-24-18)13-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,22,27)
InChIKeyFNRATZPGWXUVAU-UHFFFAOYSA-N
XLogP3.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-1H-pyrazol-4-yl)thiazole-4-carboxamide
CID 58464924
2-(6-Benzyl-pyrazin-2-yl)-4-methyl-thiazole-5-carboxylic acid benzylamide
CID 24954326
N-benzyl-2-(4-benzyl-1H-1,2,3-triazol-1-yl)-4-methylthiazole-5-carboxamide
CID 24957857
US9670157, 1 2,5-Dimethyl-1-(2-phenyl-thiazol-4-ylmethyl)-1H-pyrrole-3-carboxylic acid 4-aminomethyl-benzylamide
CID 86290252
5-amino-N-(5-(4-aminocyclohexyl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
CID 58464763
(S)-4-methyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-2-(pyrazin-2-yl)thiazole-5-carboxamide
CID 46882172
N,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]-2-naphthalen-1-yl-1,3-thiazole-5-carboxamide
CID 137638508
N-[[4-(aminomethyl)phenyl]methyl]-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 168292184
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 84462970
N-[6-(2-aminoanilino)-6-oxohexyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 45137896
2-{(E)-2-[5-(4-Fluoro-phenyl)-3-methyl-3H-[1,2,3]triazol-4-yl]-vinyl}-4-methyl-thiazole-5-carboxylic acid (tetrahydro-pyran-4-yl)-amide
CID 57329857
2-{(E)-2-[5-(4-Fluoro-phenyl)-3-methyl-3H-[1,2,3]triazol-4-yl]-vinyl}-4-methyl-thiazole-5-carboxylic acid isopropylamide
CID 57329858

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-benzyltriazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-(1-benzyltriazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 24962977) is N-benzyl-2-(1-benzyltriazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(1-benzyltriazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-(1-benzyltriazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cn(Cc3ccccc3)nn2)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(1-benzyltriazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FNRATZPGWXUVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS/c1-15-19(20(27)22-12-16-8-4-2-5-9-16)28-21(23-15)18-14-26(25-24-18)13-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,22,27).
What are the key properties of N-benzyl-2-(1-benzyltriazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-benzyl-2-(1-benzyltriazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-benzyltriazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24962977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).