N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide

C20H20N4O2S — CID 30141884

IUPACN-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)c1
InChIInChI=1S/C20H20N4O2S/c1-13-18(27-20(21-13)24(3)17-10-5-4-6-11-17)19(26)23-16-9-7-8-15(12-16)22-14(2)25/h4-12H,1-3H3,(H,22,25)(H,23,26)
InChIKeyQVDJTHVBYHKMNQ-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.43
Rot. Bonds5

About N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide

N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide (PubChem CID 30141884) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
PubChem CID30141884
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)c1
InChIInChI=1S/C20H20N4O2S/c1-13-18(27-20(21-13)24(3)17-10-5-4-6-11-17)19(26)23-16-9-7-8-15(12-16)22-14(2)25/h4-12H,1-3H3,(H,22,25)(H,23,26)
InChIKeyQVDJTHVBYHKMNQ-UHFFFAOYSA-N
XLogP4.43
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134294
4-methyl-2-(N-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 30141715
N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134324
N-(2,3-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134319
2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8893174
2-(dimethylamino)-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 75437740
N-(2,5-difluorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30142043
N-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134315
4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30134336
4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134205
N-(2-methoxyethyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134237
4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide
CID 30141824

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide (CID 30141884) is N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide is CC(=O)Nc1cccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?
The InChIKey is QVDJTHVBYHKMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-13-18(27-20(21-13)24(3)17-10-5-4-6-11-17)19(26)23-16-9-7-8-15(12-16)22-14(2)25/h4-12H,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?
N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30141884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).