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

C22H24N4O2S — CID 145489196

IUPACN,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1NCc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1
InChIInChI=1S/C22H24N4O2S/c1-14-7-5-6-8-18(14)23-13-16-9-11-17(12-10-16)20(27)25-22-24-15(2)19(29-22)21(28)26(3)4/h5-12,23H,13H2,1-4H3,(H,24,25,27)
InChIKeyVNBQPSCMPXSLDI-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.33
Rot. Bonds6

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

N,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 145489196) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID145489196
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1NCc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1
InChIInChI=1S/C22H24N4O2S/c1-14-7-5-6-8-18(14)23-13-16-9-11-17(12-10-16)20(27)25-22-24-15(2)19(29-22)21(28)26(3)4/h5-12,23H,13H2,1-4H3,(H,24,25,27)
InChIKeyVNBQPSCMPXSLDI-UHFFFAOYSA-N
XLogP4.33
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methylanilino)methyl]-N-[4-methyl-5-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 145489256
1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 4065247
2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 843956
N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468263
N-benzyl-2-[(4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 59369678
2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 3285189
2-[(5-ethylthiophene-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 17250011
2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 142147683
N-[5-[amino(benzoyl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 87544011
4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide
CID 145489122
N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
4-(acetamidomethyl)-N-(2-methylphenyl)benzamide
CID 18104261

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide (CID 145489196) is N,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide is Cc1ccccc1NCc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1.
What is the InChIKey of N,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is VNBQPSCMPXSLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-14-7-5-6-8-18(14)23-13-16-9-11-17(12-10-16)20(27)25-22-24-15(2)19(29-22)21(28)26(3)4/h5-12,23H,13H2,1-4H3,(H,24,25,27).
What are the key properties of N,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 145489196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).