3-fluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide

C20H14FN3O2S — CID 24875874

IUPAC3-fluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide
SMILESCc1oc(-c2nccs2)cc1-c1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C20H14FN3O2S/c1-12-16(10-18(26-12)20-23-8-9-27-20)13-2-4-14(5-3-13)24-19(25)15-6-7-22-11-17(15)21/h2-11H,1H3,(H,24,25)
InChIKeyAHDYGWPDKLCIBQ-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.16
Rot. Bonds4

About 3-fluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide

3-fluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide (PubChem CID 24875874) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-fluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide
PubChem CID24875874
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC Name3-fluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide
SMILESCc1oc(-c2nccs2)cc1-c1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C20H14FN3O2S/c1-12-16(10-18(26-12)20-23-8-9-27-20)13-2-4-14(5-3-13)24-19(25)15-6-7-22-11-17(15)21/h2-11H,1H3,(H,24,25)
InChIKeyAHDYGWPDKLCIBQ-UHFFFAOYSA-N
XLogP5.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluorophenyl)-N-(2-(5-methylfuran-2-yl)-6-(thiazol-2-yl)pyrimidin-4-yl)propanamide
CID 44448014
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 44522135
2-[2-(Furan-2-yl)-6-[4-(1,3-thiazol-2-yl)phenyl]-4-pyridinyl]-1,3-thiazole
CID 145983842
Myc-IN-2
CID 145985805
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-pyridin-4-ylacetamide
CID 166626633
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 166631419
4-(4-Fluorophenyl)-5-(thiazol-5-ylmethoxy)picolinamide
CID 122539741
5-(pyridin-4-yl)-N-(2-(4-(thiazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)furan-2-carboxamide
CID 129032596
5-(pyridin-4-yl)-N-(2-(4-(thiazol-2-ylmethyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)furan-2-carboxamide
CID 129032615
5-(pyridin-4-yl)-N-(2-(5-(thiazol-2-ylmethyl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)furan-2-carboxamide
CID 129046499
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3216728
2-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 166626442

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide (CID 24875874) is 3-fluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide is Cc1oc(-c2nccs2)cc1-c1ccc(NC(=O)c2ccncc2F)cc1.
What is the InChIKey of 3-fluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is AHDYGWPDKLCIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c1-12-16(10-18(26-12)20-23-8-9-27-20)13-2-4-14(5-3-13)24-19(25)15-6-7-22-11-17(15)21/h2-11H,1H3,(H,24,25).
What are the key properties of 3-fluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide?
3-fluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[2-methyl-5-(1,3-thiazol-2-yl)furan-3-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 24875874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).