N-[5-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide

C18H12Cl2N4O2S2 — CID 11958801

IUPACN-[5-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1nc(NC(=O)c2ccco2)sc1-c1csc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H12Cl2N4O2S2/c1-9-15(28-18(21-9)24-16(25)14-3-2-6-26-14)13-8-27-17(23-13)22-12-5-4-10(19)7-11(12)20/h2-8H,1H3,(H,22,23)(H,21,24,25)
InChIKeyJQGUZYIYLIDVLZ-UHFFFAOYSA-N
MW451.36 g/mol
LogP6.47
Rot. Bonds5

About N-[5-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide

N-[5-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 11958801) has the molecular formula C18H12Cl2N4O2S2 and a molecular weight of 451.36 g/mol. Its IUPAC name is N-[5-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID11958801
Molecular FormulaC18H12Cl2N4O2S2
Molecular Weight451.36 g/mol
Exact Mass449.98
IUPAC NameN-[5-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCc1nc(NC(=O)c2ccco2)sc1-c1csc(Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H12Cl2N4O2S2/c1-9-15(28-18(21-9)24-16(25)14-3-2-6-26-14)13-8-27-17(23-13)22-12-5-4-10(19)7-11(12)20/h2-8H,1H3,(H,22,23)(H,21,24,25)
InChIKeyJQGUZYIYLIDVLZ-UHFFFAOYSA-N
XLogP6.47
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide (CID 11958801) is N-[5-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide is Cc1nc(NC(=O)c2ccco2)sc1-c1csc(Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-[5-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is JQGUZYIYLIDVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O2S2/c1-9-15(28-18(21-9)24-16(25)14-3-2-6-26-14)13-8-27-17(23-13)22-12-5-4-10(19)7-11(12)20/h2-8H,1H3,(H,22,23)(H,21,24,25).
What are the key properties of N-[5-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[5-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 451.36 g/mol, XLogP of 6.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 11958801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).