N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C16H11N3O3S2 — CID 70753289

IUPACN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cc(-c2ccco2)on1)c1csc(-c2cccs2)n1
InChIInChI=1S/C16H11N3O3S2/c20-15(11-9-24-16(18-11)14-4-2-6-23-14)17-8-10-7-13(22-19-10)12-3-1-5-21-12/h1-7,9H,8H2,(H,17,20)
InChIKeyBHYJMFVRFAJTSD-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.05
Rot. Bonds5

About N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 70753289) has the molecular formula C16H11N3O3S2 and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID70753289
Molecular FormulaC16H11N3O3S2
Molecular Weight357.42 g/mol
Exact Mass357.02
IUPAC NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cc(-c2ccco2)on1)c1csc(-c2cccs2)n1
InChIInChI=1S/C16H11N3O3S2/c20-15(11-9-24-16(18-11)14-4-2-6-23-14)17-8-10-7-13(22-19-10)12-3-1-5-21-12/h1-7,9H,8H2,(H,17,20)
InChIKeyBHYJMFVRFAJTSD-UHFFFAOYSA-N
XLogP4.05
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55467216
N-[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 96578149
N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
N-[(3-carbamoylphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 32637038
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide
CID 45496871
N-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 78956758
N-[(3,4-dimethoxyphenyl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9403922
N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55536744
N-(2-acetamidoethyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36709264
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-propan-2-yloxybenzamide
CID 30607978
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 70716890
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 78925092

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 70753289) is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(NCc1cc(-c2ccco2)on1)c1csc(-c2cccs2)n1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is BHYJMFVRFAJTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3S2/c20-15(11-9-24-16(18-11)14-4-2-6-23-14)17-8-10-7-13(22-19-10)12-3-1-5-21-12/h1-7,9H,8H2,(H,17,20).
What are the key properties of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70753289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).