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

C18H16N4O3S — CID 30141715

IUPAC4-methyl-2-(N-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)c2ccccc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H16N4O3S/c1-12-16(17(23)20-13-7-6-10-15(11-13)22(24)25)26-18(19-12)21(2)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,20,23)
InChIKeyZBMLLQHCBBTDSB-UHFFFAOYSA-N
MW368.42 g/mol
LogP4.38
Rot. Bonds5

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

4-methyl-2-(N-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 30141715) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 4-methyl-2-(N-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(N-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
PubChem CID30141715
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name4-methyl-2-(N-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)c2ccccc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H16N4O3S/c1-12-16(17(23)20-13-7-6-10-15(11-13)22(24)25)26-18(19-12)21(2)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,20,23)
InChIKeyZBMLLQHCBBTDSB-UHFFFAOYSA-N
XLogP4.38
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30141884
4-methyl-2-[methyl(methylsulfonyl)amino]-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 100774035
N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134294
4-methyl-2-(3-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 23791669
N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134324
2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8893174
2-(4-fluoroanilino)-4-methyl-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 30142383
N-(2,3-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134319
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(N-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(N-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide (CID 30141715) is 4-methyl-2-(N-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(N-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(N-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide is Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-methyl-2-(N-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZBMLLQHCBBTDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-12-16(17(23)20-13-7-6-10-15(11-13)22(24)25)26-18(19-12)21(2)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,20,23).
What are the key properties of 4-methyl-2-(N-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-(N-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(N-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30141715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).