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

C19H16N4O3S2 — CID 11958525

IUPACN-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCOc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccco3)nc2C)cs1
InChIInChI=1S/C19H16N4O3S2/c1-11-16(28-19(20-11)23-17(24)15-8-5-9-26-15)13-10-27-18(22-13)21-12-6-3-4-7-14(12)25-2/h3-10H,1-2H3,(H,21,22)(H,20,23,24)
InChIKeyMIXJGZWFJUPQJH-UHFFFAOYSA-N
MW412.50 g/mol
LogP5.17
Rot. Bonds6

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

N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 11958525) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID11958525
Molecular FormulaC19H16N4O3S2
Molecular Weight412.50 g/mol
Exact Mass412.07
IUPAC NameN-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESCOc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccco3)nc2C)cs1
InChIInChI=1S/C19H16N4O3S2/c1-11-16(28-19(20-11)23-17(24)15-8-5-9-26-15)13-10-27-18(22-13)21-12-6-3-4-7-14(12)25-2/h3-10H,1-2H3,(H,21,22)(H,20,23,24)
InChIKeyMIXJGZWFJUPQJH-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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Related Compounds

N-(2-((2-methoxyphenyl)amino)-4'-methyl-[4,5'-bithiazol]-2'-yl)acetamide
CID 1117189
N-(6-Ethoxy-2-benzothiazolyl)-2-furancarboxamide
CID 739343
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide
CID 844341
N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 670717
N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 958627
N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 674790
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 715680
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide
CID 4646592
2-[(Furan-2-carbonyl)-amino]-4-methyl-thiazole-5-carboxylic acid (4-bromo-phenyl)-amide
CID 650753
N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 786020
N-{2-[(2-methoxyphenyl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}benzamide hydrobromide
CID 1117191
N-{2-[(2-ethoxyphenyl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}propanamide
CID 1144665

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide (CID 11958525) is N-[5-[2-(2-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-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide is COc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccco3)nc2C)cs1.
What is the InChIKey of N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is MIXJGZWFJUPQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S2/c1-11-16(28-19(20-11)23-17(24)15-8-5-9-26-15)13-10-27-18(22-13)21-12-6-3-4-7-14(12)25-2/h3-10H,1-2H3,(H,21,22)(H,20,23,24).
What are the key properties of N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[5-[2-(2-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-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 11958525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).