N-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide

C21H22N4O2S — CID 16897357

IUPACN-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)Nc2nc(C)c(C(=O)Nc3ccc(C)c(C)c3)s2)cc1
InChIInChI=1S/C21H22N4O2S/c1-12-5-8-16(9-6-12)24-20(27)25-21-22-15(4)18(28-21)19(26)23-17-10-7-13(2)14(3)11-17/h5-11H,1-4H3,(H,23,26)(H2,22,24,25,27)
InChIKeyGNWNGZAGACAISH-UHFFFAOYSA-N
MW394.50 g/mol
LogP5.27
Rot. Bonds4

About N-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide

N-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide (PubChem CID 16897357) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
PubChem CID16897357
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)Nc2nc(C)c(C(=O)Nc3ccc(C)c(C)c3)s2)cc1
InChIInChI=1S/C21H22N4O2S/c1-12-5-8-16(9-6-12)24-20(27)25-21-22-15(4)18(28-21)19(26)23-17-10-7-13(2)14(3)11-17/h5-11H,1-4H3,(H,23,26)(H2,22,24,25,27)
InChIKeyGNWNGZAGACAISH-UHFFFAOYSA-N
XLogP5.27
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(4-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897185
N,4-dimethyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897397
2-[(4-fluorophenyl)carbamoylamino]-N-(4-methoxy-3-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16897818
4-methyl-2-[(4-methylphenyl)carbamoylamino]-N-propyl-1,3-thiazole-5-carboxamide
CID 16897288
N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056
N-(3-bromophenyl)-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897194
2-[(4-fluorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16897770
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897620
2-[(4-chlorophenyl)carbamoylamino]-N-(2-methoxy-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16897658
1-(3,4-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 931488
4-methyl-N-(2-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897183

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide (CID 16897357) is N-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)Nc2nc(C)c(C(=O)Nc3ccc(C)c(C)c3)s2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide?
The InChIKey is GNWNGZAGACAISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-12-5-8-16(9-6-12)24-20(27)25-21-22-15(4)18(28-21)19(26)23-17-10-7-13(2)14(3)11-17/h5-11H,1-4H3,(H,23,26)(H2,22,24,25,27).
What are the key properties of N-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide?
N-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 5.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-methyl-2-[(4-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16897357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).