2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide

C18H19N3O2S — CID 46388424

IUPAC2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)N(C)Cc3ccco3)cs2)c(C)c1
InChIInChI=1S/C18H19N3O2S/c1-12-6-7-15(13(2)9-12)19-18-20-16(11-24-18)17(22)21(3)10-14-5-4-8-23-14/h4-9,11H,10H2,1-3H3,(H,19,20)
InChIKeyYSETYHDSEZOMRA-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.37
Rot. Bonds5

About 2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide

2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 46388424) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID46388424
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)N(C)Cc3ccco3)cs2)c(C)c1
InChIInChI=1S/C18H19N3O2S/c1-12-6-7-15(13(2)9-12)19-18-20-16(11-24-18)17(22)21(3)10-14-5-4-8-23-14/h4-9,11H,10H2,1-3H3,(H,19,20)
InChIKeyYSETYHDSEZOMRA-UHFFFAOYSA-N
XLogP4.37
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 62787665
3-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 5008084
2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 17499300
2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-[3-(2-methylpropylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 42814212
2-(2,3-dichloroanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 83273966
2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 42814213
N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 50830719
2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
CID 62072448
N-(furan-2-ylmethyl)-2-(4-methylphenyl)-N-phenyl-1,3-thiazole-4-carboxamide
CID 18273783
2-anilino-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46136486
4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 83153410
2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-N,5-dimethyltriazole-4-carboxamide
CID 9166678

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 46388424) is 2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide is Cc1ccc(Nc2nc(C(=O)N(C)Cc3ccco3)cs2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is YSETYHDSEZOMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-6-7-15(13(2)9-12)19-18-20-16(11-24-18)17(22)21(3)10-14-5-4-8-23-14/h4-9,11H,10H2,1-3H3,(H,19,20).
What are the key properties of 2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide?
2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46388424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).