N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]benzamide

C16H14N2O2S — CID 127047741

IUPACN-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccco2)cs1)c1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-16(12-5-2-1-3-6-12)17-9-8-15-18-13(11-21-15)14-7-4-10-20-14/h1-7,10-11H,8-9H2,(H,17,19)
InChIKeyLDMDUXNHEHRRMS-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.38
Rot. Bonds5

About N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]benzamide

N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]benzamide (PubChem CID 127047741) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]benzamide
PubChem CID127047741
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccco2)cs1)c1ccccc1
InChIInChI=1S/C16H14N2O2S/c19-16(12-5-2-1-3-6-12)17-9-8-15-18-13(11-21-15)14-7-4-10-20-14/h1-7,10-11H,8-9H2,(H,17,19)
InChIKeyLDMDUXNHEHRRMS-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]methyl}acetamide
CID 7064095
2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
CID 2464348
N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2567479
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]benzamide (CID 127047741) is N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]benzamide is O=C(NCCc1nc(-c2ccco2)cs1)c1ccccc1.
What is the InChIKey of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]benzamide?
The InChIKey is LDMDUXNHEHRRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-16(12-5-2-1-3-6-12)17-9-8-15-18-13(11-21-15)14-7-4-10-20-14/h1-7,10-11H,8-9H2,(H,17,19).
What are the key properties of N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]benzamide?
N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]benzamide has a molecular weight of 298.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-yl)-1,3-thiazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 127047741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).