2-(2,4-dimethylanilino)-4-methyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-5-carboxamide

C19H27N3O2S — CID 53365550

IUPAC2-(2,4-dimethylanilino)-4-methyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Nc2nc(C)c(C(=O)NCCCOC(C)C)s2)c(C)c1
InChIInChI=1S/C19H27N3O2S/c1-12(2)24-10-6-9-20-18(23)17-15(5)21-19(25-17)22-16-8-7-13(3)11-14(16)4/h7-8,11-12H,6,9-10H2,1-5H3,(H,20,23)(H,21,22)
InChIKeyGRCVUHAWSFMZKX-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.36
Rot. Bonds8

About 2-(2,4-dimethylanilino)-4-methyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-5-carboxamide

2-(2,4-dimethylanilino)-4-methyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-5-carboxamide (PubChem CID 53365550) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-4-methyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-4-methyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-5-carboxamide
PubChem CID53365550
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name2-(2,4-dimethylanilino)-4-methyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Nc2nc(C)c(C(=O)NCCCOC(C)C)s2)c(C)c1
InChIInChI=1S/C19H27N3O2S/c1-12(2)24-10-6-9-20-18(23)17-15(5)21-19(25-17)22-16-8-7-13(3)11-14(16)4/h7-8,11-12H,6,9-10H2,1-5H3,(H,20,23)(H,21,22)
InChIKeyGRCVUHAWSFMZKX-UHFFFAOYSA-N
XLogP4.36
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
N-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845444
2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
CID 50845464
2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 53365539
N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365497
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 126413796
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
methyl 5-acetyl-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxylate
CID 106696789
2-(2,5-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 1132750
2-(2-ethylanilino)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365483
3-methyl-4-[(4-methylphenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)benzamide
CID 19062794
3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 54385024

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-4-methyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethylanilino)-4-methyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-5-carboxamide (CID 53365550) is 2-(2,4-dimethylanilino)-4-methyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-4-methyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-4-methyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-5-carboxamide is Cc1ccc(Nc2nc(C)c(C(=O)NCCCOC(C)C)s2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-4-methyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GRCVUHAWSFMZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-12(2)24-10-6-9-20-18(23)17-15(5)21-19(25-17)22-16-8-7-13(3)11-14(16)4/h7-8,11-12H,6,9-10H2,1-5H3,(H,20,23)(H,21,22).
What are the key properties of 2-(2,4-dimethylanilino)-4-methyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-5-carboxamide?
2-(2,4-dimethylanilino)-4-methyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-4-methyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53365550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).