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

C19H18FN3O2S2 — CID 177214020

IUPAC5-fluoro-N-[4-[2-(2-methylsulfanylethoxymethyl)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCSCCOCc1ccccc1-c1csc(NC(=O)c2ccc(F)cn2)n1
InChIInChI=1S/C19H18FN3O2S2/c1-26-9-8-25-11-13-4-2-3-5-15(13)17-12-27-19(22-17)23-18(24)16-7-6-14(20)10-21-16/h2-7,10,12H,8-9,11H2,1H3,(H,22,23,24)
InChIKeyVOQXONCGSILDME-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.48
Rot. Bonds8

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

5-fluoro-N-[4-[2-(2-methylsulfanylethoxymethyl)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 177214020) has the molecular formula C19H18FN3O2S2 and a molecular weight of 403.50 g/mol. Its IUPAC name is 5-fluoro-N-[4-[2-(2-methylsulfanylethoxymethyl)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-[2-(2-methylsulfanylethoxymethyl)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID177214020
Molecular FormulaC19H18FN3O2S2
Molecular Weight403.50 g/mol
Exact Mass403.08
IUPAC Name5-fluoro-N-[4-[2-(2-methylsulfanylethoxymethyl)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCSCCOCc1ccccc1-c1csc(NC(=O)c2ccc(F)cn2)n1
InChIInChI=1S/C19H18FN3O2S2/c1-26-9-8-25-11-13-4-2-3-5-15(13)17-12-27-19(22-17)23-18(24)16-7-6-14(20)10-21-16/h2-7,10,12H,8-9,11H2,1H3,(H,22,23,24)
InChIKeyVOQXONCGSILDME-UHFFFAOYSA-N
XLogP4.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[[3-[2-[(5-fluoropyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methoxy]ethyl]-N-methylcarbamate
CID 177214054
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxypyrazine-2-carboxamide
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CID 17404608
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CID 177213963
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CID 23119518
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
2-(carbamoylamino)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
CID 78775310
ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate
CID 1477063

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-[2-(2-methylsulfanylethoxymethyl)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[4-[2-(2-methylsulfanylethoxymethyl)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 177214020) is 5-fluoro-N-[4-[2-(2-methylsulfanylethoxymethyl)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-[2-(2-methylsulfanylethoxymethyl)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-[2-(2-methylsulfanylethoxymethyl)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is CSCCOCc1ccccc1-c1csc(NC(=O)c2ccc(F)cn2)n1.
What is the InChIKey of 5-fluoro-N-[4-[2-(2-methylsulfanylethoxymethyl)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is VOQXONCGSILDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S2/c1-26-9-8-25-11-13-4-2-3-5-15(13)17-12-27-19(22-17)23-18(24)16-7-6-14(20)10-21-16/h2-7,10,12H,8-9,11H2,1H3,(H,22,23,24).
What are the key properties of 5-fluoro-N-[4-[2-(2-methylsulfanylethoxymethyl)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
5-fluoro-N-[4-[2-(2-methylsulfanylethoxymethyl)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-[2-(2-methylsulfanylethoxymethyl)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 177214020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).