N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C20H15N3O3S2 — CID 55467216

IUPACN-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccco1)c1csc(-c2cccs2)n1
InChIInChI=1S/C20H15N3O3S2/c24-18(21-11-13-5-3-9-26-13)14-6-1-2-7-15(14)22-19(25)16-12-28-20(23-16)17-8-4-10-27-17/h1-10,12H,11H2,(H,21,24)(H,22,25)
InChIKeyBVOWELMRJBESCV-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.65
Rot. Bonds6

About N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 55467216) has the molecular formula C20H15N3O3S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID55467216
Molecular FormulaC20H15N3O3S2
Molecular Weight409.49 g/mol
Exact Mass409.06
IUPAC NameN-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccco1)c1csc(-c2cccs2)n1
InChIInChI=1S/C20H15N3O3S2/c24-18(21-11-13-5-3-9-26-13)14-6-1-2-7-15(14)22-19(25)16-12-28-20(23-16)17-8-4-10-27-17/h1-10,12H,11H2,(H,21,24)(H,22,25)
InChIKeyBVOWELMRJBESCV-UHFFFAOYSA-N
XLogP4.65
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 51225250
N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9047021
N-(furan-2-ylmethyl)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 35859606
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70753289
N-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 6234508
N-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 96578149
N-(furan-2-ylmethyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 16577154
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
N-(furan-2-ylmethyl)-1-methyl-4-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19509229
N-(furan-2-ylmethyl)-2-[(4-phenylbenzoyl)amino]benzamide
CID 989147
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922685

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 55467216) is N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1C(=O)NCc1ccco1)c1csc(-c2cccs2)n1.
What is the InChIKey of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is BVOWELMRJBESCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S2/c24-18(21-11-13-5-3-9-26-13)14-6-1-2-7-15(14)22-19(25)16-12-28-20(23-16)17-8-4-10-27-17/h1-10,12H,11H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55467216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).