N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]furan-2-carboxamide

C16H13FN2O2S — CID 838630

IUPACN-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]furan-2-carboxamide
SMILESCc1s/c(=N\C(=O)c2ccco2)n(C)c1-c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O2S/c1-10-14(11-5-7-12(17)8-6-11)19(2)16(22-10)18-15(20)13-4-3-9-21-13/h3-9H,1-2H3/b18-16-
InChIKeyHNBHNXZIIZEVMW-VLGSPTGOSA-N
MW316.36 g/mol
LogP3.54
Rot. Bonds2

About N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]furan-2-carboxamide

N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]furan-2-carboxamide (PubChem CID 838630) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]furan-2-carboxamide
PubChem CID838630
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC NameN-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]furan-2-carboxamide
SMILESCc1s/c(=N\C(=O)c2ccco2)n(C)c1-c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O2S/c1-10-14(11-5-7-12(17)8-6-11)19(2)16(22-10)18-15(20)13-4-3-9-21-13/h3-9H,1-2H3/b18-16-
InChIKeyHNBHNXZIIZEVMW-VLGSPTGOSA-N
XLogP3.54
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.54
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

N-(3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2(3H)-ylidene)-2-furamide
CID 838622
N-[4-(4-chlorophenyl)-3,5-dimethyl-2-thiazolylidene]-2-furancarboxamide
CID 838623
N-(3,5-dimethyl-4-phenyl-1,3-thiazol-2(3H)-ylidene)-2-furamide
CID 838627
(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(furan-2-yl)methanone
CID 3646578
[2-[(2-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(furan-2-yl)methanone
CID 4088356
Ethyl 2-(furan-2-carbonylimino)-3,4-dimethyl-1,3-thiazole-5-carboxylate
CID 4576653
Furan-2-yl-[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4687568
2-[(4-Fluorobenzyl)thio]-4-(2-furyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile
CID 135414697
Furan-2-carboxylic acid [3-(2-oxo-2-phenyl-ethyl)-3H-thiazol-(2Z)-ylidene]-amide
CID 646097
CID 656370
CID 656370
(Z)-N-(3-(furan-2-ylmethyl)-4-methylthiazol-2(3H)-ylidene)benzamide
CID 741668
2-{[1-ethyl-4-(4-fluorobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-(2-furylmethyl)acetamide
CID 1820041

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]furan-2-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]furan-2-carboxamide (CID 838630) is N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]furan-2-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]furan-2-carboxamide is Cc1s/c(=N\C(=O)c2ccco2)n(C)c1-c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]furan-2-carboxamide?
The InChIKey is HNBHNXZIIZEVMW-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-10-14(11-5-7-12(17)8-6-11)19(2)16(22-10)18-15(20)13-4-3-9-21-13/h3-9H,1-2H3/b18-16-.
What are the key properties of N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]furan-2-carboxamide?
N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]furan-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]furan-2-carboxamide is sourced from PubChem (CID 838630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).