1-fluoro-N-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide

C18H17FN4OS — CID 138590181

IUPAC1-fluoro-N-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
SMILESO=C(Nc1cc2cc(-c3cncs3)ncc2cn1)C1(F)CCCCC1
InChIInChI=1S/C18H17FN4OS/c19-18(4-2-1-3-5-18)17(24)23-16-7-12-6-14(15-10-20-11-25-15)21-8-13(12)9-22-16/h6-11H,1-5H2,(H,22,23,24)
InChIKeyYYQLGQFNABUAJY-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.36
Rot. Bonds3

About 1-fluoro-N-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide

1-fluoro-N-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide (PubChem CID 138590181) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-fluoro-N-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
PubChem CID138590181
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC Name1-fluoro-N-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
SMILESO=C(Nc1cc2cc(-c3cncs3)ncc2cn1)C1(F)CCCCC1
InChIInChI=1S/C18H17FN4OS/c19-18(4-2-1-3-5-18)17(24)23-16-7-12-6-14(15-10-20-11-25-15)21-8-13(12)9-22-16/h6-11H,1-5H2,(H,22,23,24)
InChIKeyYYQLGQFNABUAJY-UHFFFAOYSA-N
XLogP4.36
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-fluoro-N-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

3-[2-(2-Ethylpyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 21928512
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N-[4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]cyclohexanecarboxamide
CID 10158193
N-(5-Cyclobutyl-thiazol-2-yl)-2-isoquinolin-5-yl-acetamide
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N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-3-phenyl-propionamide
CID 10274130
N-[4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]phenylacetamide
CID 10295235
4-fluoro-3-((2-(pyridin-2-ylamino)thiazol-5-ylmethyl)amino)-N-(pyridin-2-ylmethyl)benzamide
CID 11662019
1-[4-[2-[[5-(6-Methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
CID 15978894
3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(1,3-thiazol-5-ylmethyl)propanamide
CID 53237781
N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-ylphenyl)acetamide
CID 58447763
(2S)-3-phenyl-N-(4-pyridin-4-ylpyrimidin-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 67497939
4-[[6-(5-Thiazolyl)-4-quinazolinyl]amino]benzamide
CID 118736904

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-fluoro-N-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide (CID 138590181) is 1-fluoro-N-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-fluoro-N-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-fluoro-N-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide is O=C(Nc1cc2cc(-c3cncs3)ncc2cn1)C1(F)CCCCC1.
What is the InChIKey of 1-fluoro-N-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?
The InChIKey is YYQLGQFNABUAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c19-18(4-2-1-3-5-18)17(24)23-16-7-12-6-14(15-10-20-11-25-15)21-8-13(12)9-22-16/h6-11H,1-5H2,(H,22,23,24).
What are the key properties of 1-fluoro-N-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?
1-fluoro-N-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 138590181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).