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

C17H23N3OS — CID 30141824

IUPAC4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide
SMILESCCCCCNC(=O)c1sc(N(C)c2ccccc2)nc1C
InChIInChI=1S/C17H23N3OS/c1-4-5-9-12-18-16(21)15-13(2)19-17(22-15)20(3)14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,18,21)
InChIKeyJFIDSBLUSZSODI-UHFFFAOYSA-N
MW317.46 g/mol
LogP4.14
Rot. Bonds7

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

4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide (PubChem CID 30141824) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide
PubChem CID30141824
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide
SMILESCCCCCNC(=O)c1sc(N(C)c2ccccc2)nc1C
InChIInChI=1S/C17H23N3OS/c1-4-5-9-12-18-16(21)15-13(2)19-17(22-15)20(3)14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,18,21)
InChIKeyJFIDSBLUSZSODI-UHFFFAOYSA-N
XLogP4.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
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-methoxyethyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134237
N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134294
4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134205
4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30134336
N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134324
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30141807
N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30141884
N-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134315
N-(2,5-difluorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30142043
4-methyl-N-[3-(N-methylanilino)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 27746890
N-(2,3-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134319
2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
CID 110374853

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide (CID 30141824) is 4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide is CCCCCNC(=O)c1sc(N(C)c2ccccc2)nc1C.
What is the InChIKey of 4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide?
The InChIKey is JFIDSBLUSZSODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-4-5-9-12-18-16(21)15-13(2)19-17(22-15)20(3)14-10-7-6-8-11-14/h6-8,10-11H,4-5,9,12H2,1-3H3,(H,18,21).
What are the key properties of 4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide?
4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30141824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).