N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide

C18H12N2O2S2 — CID 2453350

IUPACN-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1ccco1
InChIInChI=1S/C18H12N2O2S2/c21-17(13-8-4-10-22-13)20-18-19-15(14-9-5-11-23-14)16(24-18)12-6-2-1-3-7-12/h1-11H,(H,19,20,21)
InChIKeyANYRGNKODNUETI-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.38
Rot. Bonds4

About N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide

N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 2453350) has the molecular formula C18H12N2O2S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID2453350
Molecular FormulaC18H12N2O2S2
Molecular Weight352.44 g/mol
Exact Mass352.03
IUPAC NameN-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1ccco1
InChIInChI=1S/C18H12N2O2S2/c21-17(13-8-4-10-22-13)20-18-19-15(14-9-5-11-23-14)16(24-18)12-6-2-1-3-7-12/h1-11H,(H,19,20,21)
InChIKeyANYRGNKODNUETI-UHFFFAOYSA-N
XLogP5.38
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-furoylamino)-N-mesityl-4-methyl-1,3-thiazole-5-carboxamide
CID 21911271
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 694812
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 734562
N-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide
CID 565816
N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 674790
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 715680
Furan-2-carboxylic acid (4-phenyl-5-pyridin-4-yl-thiazol-2-yl)-amide
CID 72197880
A1/A3 AR antagonist 2
CID 162673862
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 702340
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 733820
Furan-2-carboxylic acid methyl-(4-phenyl-thiazol-2-yl)-amide
CID 861583
Furan-2-carboxylic acid [4-(4-methoxy-phenyl)-thiazol-2-yl]-methyl-amide
CID 862765

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide (CID 2453350) is N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide is O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1ccco1.
What is the InChIKey of N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is ANYRGNKODNUETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S2/c21-17(13-8-4-10-22-13)20-18-19-15(14-9-5-11-23-14)16(24-18)12-6-2-1-3-7-12/h1-11H,(H,19,20,21).
What are the key properties of N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide?
N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-4-thiophen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 2453350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).