N-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide

C16H14N2O2S — CID 741668

IUPACN-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide
SMILESCc1cs/c(=N\C(=O)c2ccccc2)n1Cc1ccco1
InChIInChI=1S/C16H14N2O2S/c1-12-11-21-16(18(12)10-14-8-5-9-20-14)17-15(19)13-6-3-2-4-7-13/h2-9,11H,10H2,1H3/b17-16-
InChIKeyCLODSRYIQAUJSG-MSUUIHNZSA-N
MW298.37 g/mol
LogP3.24
Rot. Bonds3

About N-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide

N-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide (PubChem CID 741668) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide
PubChem CID741668
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide
SMILESCc1cs/c(=N\C(=O)c2ccccc2)n1Cc1ccco1
InChIInChI=1S/C16H14N2O2S/c1-12-11-21-16(18(12)10-14-8-5-9-20-14)17-15(19)13-6-3-2-4-7-13/h2-9,11H,10H2,1H3/b17-16-
InChIKeyCLODSRYIQAUJSG-MSUUIHNZSA-N
XLogP3.24
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

3-(2-Furylmethyl)-2-(mesitylimino)-1,3-thiazolan-4-one
CID 557424
(2E)-2-[(E)-benzylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
CID 6865395
3-(Furan-2-yl)-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide
CID 23724183
2-Allylsulfanyl-3-furan-2-ylmethyl-3H-quinazolin-4-one
CID 331177
3-(furan-2-ylmethyl)-2-((2-methylallyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
CID 1384776
3-(furan-2-ylmethyl)-2-(propylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
CID 1601355
3-(furan-2-ylmethyl)-2-propan-2-ylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
CID 1917736
2-Benzylsulfanyl-3-furan-2-ylmethyl-3H-quinazolin-4-one
CID 652975
2-((3-(furan-2-ylmethyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)thio)acetonitrile
CID 661816
1-(furan-2-ylmethyl)-2-(p-tolyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
CID 726542
Cambridge id 7163302
CID 751759
N-(3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene)-2-furamide
CID 838622

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of N-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide (CID 741668) is N-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for N-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for N-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide is Cc1cs/c(=N\C(=O)c2ccccc2)n1Cc1ccco1.
What is the InChIKey of N-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is CLODSRYIQAUJSG-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-12-11-21-16(18(12)10-14-8-5-9-20-14)17-15(19)13-6-3-2-4-7-13/h2-9,11H,10H2,1H3/b17-16-.
What are the key properties of N-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide?
N-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 298.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 741668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).