4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide

C19H18N4O2S — CID 144822340

IUPAC4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCNc1ccc(C(=O)Nc2nc(C)c(C(=O)Nc3ccccc3)s2)cc1
InChIInChI=1S/C19H18N4O2S/c1-12-16(18(25)22-15-6-4-3-5-7-15)26-19(21-12)23-17(24)13-8-10-14(20-2)11-9-13/h3-11,20H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyFQYTWZQPYZSXIU-UHFFFAOYSA-N
MW366.45 g/mol
LogP4.00
Rot. Bonds5

About 4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide

4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 144822340) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID144822340
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCNc1ccc(C(=O)Nc2nc(C)c(C(=O)Nc3ccccc3)s2)cc1
InChIInChI=1S/C19H18N4O2S/c1-12-16(18(25)22-15-6-4-3-5-7-15)26-19(21-12)23-17(24)13-8-10-14(20-2)11-9-13/h3-11,20H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyFQYTWZQPYZSXIU-UHFFFAOYSA-N
XLogP4.00
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide
CID 55046054
2-(dimethylcarbamoylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 110443786
N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056
N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
N-(4-chlorophenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide
CID 1468155
N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468182
N-(4-bromophenyl)-4-methyl-2-[(4-nitrobenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468154
2-[(4-bromobenzoyl)amino]-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468187
4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897101
2,4-dimethyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 112758653
2-[3-(dimethylamino)propanoylamino]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 110442436
2-[(4-chlorobenzoyl)amino]-N-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468203

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide (CID 144822340) is 4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide is CNc1ccc(C(=O)Nc2nc(C)c(C(=O)Nc3ccccc3)s2)cc1.
What is the InChIKey of 4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is FQYTWZQPYZSXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-12-16(18(25)22-15-6-4-3-5-7-15)26-19(21-12)23-17(24)13-8-10-14(20-2)11-9-13/h3-11,20H,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of 4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide?
4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 144822340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).