N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide

C15H19N3OS — CID 3974707

IUPACN-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
SMILESCCCCNC(=O)c1csc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C15H19N3OS/c1-3-4-9-16-14(19)13-10-20-15(18-13)17-12-7-5-11(2)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyVOTGDXJLSNXNGB-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.73
Rot. Bonds6

About N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide

N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide (PubChem CID 3974707) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
PubChem CID3974707
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
SMILESCCCCNC(=O)c1csc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C15H19N3OS/c1-3-4-9-16-14(19)13-10-20-15(18-13)17-12-7-5-11(2)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyVOTGDXJLSNXNGB-UHFFFAOYSA-N
XLogP3.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3978830
2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3978833
2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 7098101
2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide
CID 16954831
2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 122182342
N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 25246908
N-butyl-2-[[butyl-[(4-methylphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 4001180
3-[[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 42813686
2-(1,3-benzodioxol-5-ylamino)-N-(3-butoxypropyl)-1,3-thiazole-4-carboxamide
CID 84556190
N-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 3911323
N-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955220
2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 16948332

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide (CID 3974707) is N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide is CCCCNC(=O)c1csc(Nc2ccc(C)cc2)n1.
What is the InChIKey of N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is VOTGDXJLSNXNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-4-9-16-14(19)13-10-20-15(18-13)17-12-7-5-11(2)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide?
N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3974707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).