N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

C16H14N2O2S — CID 2567479

IUPACN-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)NCc1ccco1
InChIInChI=1S/C16H14N2O2S/c19-15(17-10-14-7-4-8-20-14)9-13-11-21-16(18-13)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,17,19)
InChIKeyMTBGPBOAPXWAFY-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.26
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 2567479) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID2567479
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)NCc1ccco1
InChIInChI=1S/C16H14N2O2S/c19-15(17-10-14-7-4-8-20-14)9-13-11-21-16(18-13)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,17,19)
InChIKeyMTBGPBOAPXWAFY-UHFFFAOYSA-N
XLogP3.26
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 674790
Furan-2-carboxylic acid 4-benzothiazol-2-yl-benzylamide
CID 2979650
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
CID 2811044
N-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 6464408
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]furan-2-carboxamide
CID 6468644
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 7119107
N-{2-[2-(3-Fluorophenyl)-1,3-thiazol-4-YL]ethyl}furan-2-carboxamide
CID 7518526
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide
CID 71973734
3-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 123759102
[4-[(2S)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-2-[[(2S)-2-(methoxycarbonylamino)-3-phenylpropanoyl]amino]ethyl]phenyl]sulfamic acid
CID 57943194
2-[4-(2-Furoyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5p)
CID 73443011
Furan-2-carboxylic acid (4-phenyl-thiazol-2-yl)-(tetrahydro-furan-2-ylmethyl)-amide
CID 647248

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 2567479) is N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccccc2)n1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is MTBGPBOAPXWAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-15(17-10-14-7-4-8-20-14)9-13-11-21-16(18-13)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,17,19).
What are the key properties of N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 298.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 2567479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).