1-[2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide

C22H26N6O2S — CID 53100773

IUPAC1-[2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(-n2nnc(-c3nc(C)c(C(=O)N4CCC(C(N)=O)CC4)s3)c2C)cc1C
InChIInChI=1S/C22H26N6O2S/c1-12-5-6-17(11-13(12)2)28-15(4)18(25-26-28)21-24-14(3)19(31-21)22(30)27-9-7-16(8-10-27)20(23)29/h5-6,11,16H,7-10H2,1-4H3,(H2,23,29)
InChIKeyZGLICPJGBLYCNS-UHFFFAOYSA-N
MW438.56 g/mol
LogP2.96
Rot. Bonds4

About 1-[2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide

1-[2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide (PubChem CID 53100773) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is 1-[2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
PubChem CID53100773
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC Name1-[2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
SMILESCc1ccc(-n2nnc(-c3nc(C)c(C(=O)N4CCC(C(N)=O)CC4)s3)c2C)cc1C
InChIInChI=1S/C22H26N6O2S/c1-12-5-6-17(11-13(12)2)28-15(4)18(25-26-28)21-24-14(3)19(31-21)22(30)27-9-7-16(8-10-27)20(23)29/h5-6,11,16H,7-10H2,1-4H3,(H2,23,29)
InChIKeyZGLICPJGBLYCNS-UHFFFAOYSA-N
XLogP2.96
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide with MolForge

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Related Compounds

[2-[1-(4-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 53100753
1-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide
CID 47085113
2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 95082033
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
N-cyclohexyl-4-methyl-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide
CID 53100729
1-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid
CID 45341282
(3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 95137194
[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone
CID 55803749
1-(5-methyl-1-quinolin-6-yltriazole-4-carbonyl)piperidine-4-carboxamide
CID 119126304
2-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53337949
1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide
CID 119125999
[4-(azepan-1-yl)piperidin-1-yl]-[4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazol-5-yl]methanone
CID 59338791

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide (CID 53100773) is 1-[2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide is Cc1ccc(-n2nnc(-c3nc(C)c(C(=O)N4CCC(C(N)=O)CC4)s3)c2C)cc1C.
What is the InChIKey of 1-[2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide?
The InChIKey is ZGLICPJGBLYCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-12-5-6-17(11-13(12)2)28-15(4)18(25-26-28)21-24-14(3)19(31-21)22(30)27-9-7-16(8-10-27)20(23)29/h5-6,11,16H,7-10H2,1-4H3,(H2,23,29).
What are the key properties of 1-[2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide?
1-[2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide has a molecular weight of 438.56 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 53100773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).