N-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide

C21H16FN3O2S — CID 133370970

IUPACN-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CNc2nc(-c3ccc(F)cc3)cs2)cc1)c1ccco1
InChIInChI=1S/C21H16FN3O2S/c22-16-7-5-15(6-8-16)18-13-28-21(25-18)23-12-14-3-9-17(10-4-14)24-20(26)19-2-1-11-27-19/h1-11,13H,12H2,(H,23,25)(H,24,26)
InChIKeyJCDADTCDBQPXAR-UHFFFAOYSA-N
MW393.44 g/mol
LogP5.41
Rot. Bonds6

About N-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide

N-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 133370970) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide
PubChem CID133370970
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC NameN-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CNc2nc(-c3ccc(F)cc3)cs2)cc1)c1ccco1
InChIInChI=1S/C21H16FN3O2S/c22-16-7-5-15(6-8-16)18-13-28-21(25-18)23-12-14-3-9-17(10-4-14)24-20(26)19-2-1-11-27-19/h1-11,13H,12H2,(H,23,25)(H,24,26)
InChIKeyJCDADTCDBQPXAR-UHFFFAOYSA-N
XLogP5.41
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 17392556
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 4061506
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 3602054
4-fluoro-N-[4-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 4224045
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 42765515
N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
CID 810332
N-[3-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 55822951
N-[4-[2-(benzylamino)-1,3-thiazol-4-yl]phenyl]butanamide
CID 9356285
N-[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 25476914
N-[4-(5-fluoro-2-hydroxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 861981
N-[4-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide
CID 9422983

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide (CID 133370970) is N-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(CNc2nc(-c3ccc(F)cc3)cs2)cc1)c1ccco1.
What is the InChIKey of N-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is JCDADTCDBQPXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c22-16-7-5-15(6-8-16)18-13-28-21(25-18)23-12-14-3-9-17(10-4-14)24-20(26)19-2-1-11-27-19/h1-11,13H,12H2,(H,23,25)(H,24,26).
What are the key properties of N-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 133370970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).