N-cyclopropyl-5-[[2-(4-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]furan-2-carboxamide

C19H16FN3O3S — CID 51067406

IUPACN-cyclopropyl-5-[[2-(4-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]furan-2-carboxamide
SMILESO=C(/N=c1/sccn1Cc1ccc(C(=O)NC2CC2)o1)c1ccc(F)cc1
InChIInChI=1S/C19H16FN3O3S/c20-13-3-1-12(2-4-13)17(24)22-19-23(9-10-27-19)11-15-7-8-16(26-15)18(25)21-14-5-6-14/h1-4,7-10,14H,5-6,11H2,(H,21,25)/b22-19+
InChIKeyWULSNMNJPUMZOB-ZBJSNUHESA-N
MW385.42 g/mol
LogP2.96
Rot. Bonds5

About N-cyclopropyl-5-[[2-(4-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]furan-2-carboxamide

N-cyclopropyl-5-[[2-(4-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]furan-2-carboxamide (PubChem CID 51067406) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is N-cyclopropyl-5-[[2-(4-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[[2-(4-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]furan-2-carboxamide
PubChem CID51067406
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC NameN-cyclopropyl-5-[[2-(4-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]furan-2-carboxamide
SMILESO=C(/N=c1/sccn1Cc1ccc(C(=O)NC2CC2)o1)c1ccc(F)cc1
InChIInChI=1S/C19H16FN3O3S/c20-13-3-1-12(2-4-13)17(24)22-19-23(9-10-27-19)11-15-7-8-16(26-15)18(25)21-14-5-6-14/h1-4,7-10,14H,5-6,11H2,(H,21,25)/b22-19+
InChIKeyWULSNMNJPUMZOB-ZBJSNUHESA-N
XLogP2.96
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(2-chlorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide
CID 51067409
4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
CID 7930627
5-[[2-(3-chlorobenzoyl)imino-4-methyl-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide
CID 46137217
5-[(2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide
CID 63578720
2,4-difluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
CID 7930653
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024797
5-(azidomethyl)-N-(4-hydroxycyclohexyl)furan-2-carboxamide
CID 134162799
6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 24905713
N-[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]-5-(hydroxymethyl)furan-2-carboxamide
CID 169417249
5-ethyl-N-piperidin-4-ylfuran-2-carboxamide
CID 78981214
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]furan-3-carboxamide
CID 38274326
5-[[2-(3,4-dimethoxybenzoyl)imino-4,5-dimethyl-1,3-thiazol-3-yl]methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 83284863

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[[2-(4-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[[2-(4-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]furan-2-carboxamide (CID 51067406) is N-cyclopropyl-5-[[2-(4-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[[2-(4-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[[2-(4-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]furan-2-carboxamide is O=C(/N=c1/sccn1Cc1ccc(C(=O)NC2CC2)o1)c1ccc(F)cc1.
What is the InChIKey of N-cyclopropyl-5-[[2-(4-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]furan-2-carboxamide?
The InChIKey is WULSNMNJPUMZOB-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H16FN3O3S/c20-13-3-1-12(2-4-13)17(24)22-19-23(9-10-27-19)11-15-7-8-16(26-15)18(25)21-14-5-6-14/h1-4,7-10,14H,5-6,11H2,(H,21,25)/b22-19+.
What are the key properties of N-cyclopropyl-5-[[2-(4-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]furan-2-carboxamide?
N-cyclopropyl-5-[[2-(4-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]furan-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[[2-(4-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 51067406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).