2-(2,3-dichloroanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide

C18H16Cl2N4O3S — CID 83273966

IUPAC2-(2,3-dichloroanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1csc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C18H16Cl2N4O3S/c1-24(9-15(25)21-8-11-4-3-7-27-11)17(26)14-10-28-18(23-14)22-13-6-2-5-12(19)16(13)20/h2-7,10H,8-9H2,1H3,(H,21,25)(H,22,23)
InChIKeyINVMVOGYKKJWPG-UHFFFAOYSA-N
MW439.32 g/mol
LogP4.17
Rot. Bonds7

About 2-(2,3-dichloroanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide

2-(2,3-dichloroanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 83273966) has the molecular formula C18H16Cl2N4O3S and a molecular weight of 439.32 g/mol. Its IUPAC name is 2-(2,3-dichloroanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dichloroanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID83273966
Molecular FormulaC18H16Cl2N4O3S
Molecular Weight439.32 g/mol
Exact Mass438.03
IUPAC Name2-(2,3-dichloroanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC(=O)NCc1ccco1)C(=O)c1csc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C18H16Cl2N4O3S/c1-24(9-15(25)21-8-11-4-3-7-27-11)17(26)14-10-28-18(23-14)22-13-6-2-5-12(19)16(13)20/h2-7,10H,8-9H2,1H3,(H,21,25)(H,22,23)
InChIKeyINVMVOGYKKJWPG-UHFFFAOYSA-N
XLogP4.17
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(2-chloroanilino)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46136575
2-(2-chloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42813666
N-benzyl-2-(2,3-dichloroanilino)-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 42814301
2-(2-chloroanilino)-N-(furan-2-ylmethyl)-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 46136585
2-(2,4-dimethylanilino)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 46388424
5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187637
(3R)-N-(2,3-dichlorophenyl)-N'-(furan-2-ylmethyl)-3-methylpentanediamide
CID 7318862
2-[4-[2-(2,4-dichloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 42876966
6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346451
N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-2-(3-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813573
N-cyclopropyl-2-(2,3-dichloroanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46137337
5-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231446

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dichloroanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 83273966) is 2-(2,3-dichloroanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dichloroanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dichloroanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide is CN(CC(=O)NCc1ccco1)C(=O)c1csc(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-(2,3-dichloroanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is INVMVOGYKKJWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O3S/c1-24(9-15(25)21-8-11-4-3-7-27-11)17(26)14-10-28-18(23-14)22-13-6-2-5-12(19)16(13)20/h2-7,10H,8-9H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 2-(2,3-dichloroanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide?
2-(2,3-dichloroanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 439.32 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 83273966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).