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

C19H16N4O3S2 — CID 11958821

IUPACN-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCOc1cccc(Nc2nc(-c3sc(NC(=O)c4ccco4)nc3C)cs2)c1
InChIInChI=1S/C19H16N4O3S2/c1-11-16(28-19(20-11)23-17(24)15-7-4-8-26-15)14-10-27-18(22-14)21-12-5-3-6-13(9-12)25-2/h3-10H,1-2H3,(H,21,22)(H,20,23,24)
InChIKeyMLLKTOICHBSFMD-UHFFFAOYSA-N
MW412.50 g/mol
LogP5.17
Rot. Bonds6

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

N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 11958821) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID11958821
Molecular FormulaC19H16N4O3S2
Molecular Weight412.50 g/mol
Exact Mass412.07
IUPAC NameN-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCOc1cccc(Nc2nc(-c3sc(NC(=O)c4ccco4)nc3C)cs2)c1
InChIInChI=1S/C19H16N4O3S2/c1-11-16(28-19(20-11)23-17(24)15-7-4-8-26-15)14-10-27-18(22-14)21-12-5-3-6-13(9-12)25-2/h3-10H,1-2H3,(H,21,22)(H,20,23,24)
InChIKeyMLLKTOICHBSFMD-UHFFFAOYSA-N
XLogP5.17
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.50
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide (CID 11958821) is N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide is COc1cccc(Nc2nc(-c3sc(NC(=O)c4ccco4)nc3C)cs2)c1.
What is the InChIKey of N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is MLLKTOICHBSFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S2/c1-11-16(28-19(20-11)23-17(24)15-7-4-8-26-15)14-10-27-18(22-14)21-12-5-3-6-13(9-12)25-2/h3-10H,1-2H3,(H,21,22)(H,20,23,24).
What are the key properties of N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 412.50 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 11958821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).