4-ethyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole

C11H11FN2S2 — CID 123457778

IUPAC4-ethyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole
SMILESCCc1nc(-c2cncc(F)c2)sc1SC
InChIInChI=1S/C11H11FN2S2/c1-3-9-11(15-2)16-10(14-9)7-4-8(12)6-13-5-7/h4-6H,3H2,1-2H3
InChIKeySMUDUCOADUVJFI-UHFFFAOYSA-N
MW254.35 g/mol
LogP3.63
Rot. Bonds3

About 4-ethyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole

4-ethyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole (PubChem CID 123457778) has the molecular formula C11H11FN2S2 and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-ethyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole
PubChem CID123457778
Molecular FormulaC11H11FN2S2
Molecular Weight254.35 g/mol
Exact Mass254.03
IUPAC Name4-ethyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole
SMILESCCc1nc(-c2cncc(F)c2)sc1SC
InChIInChI=1S/C11H11FN2S2/c1-3-9-11(15-2)16-10(14-9)7-4-8(12)6-13-5-7/h4-6H,3H2,1-2H3
InChIKeySMUDUCOADUVJFI-UHFFFAOYSA-N
XLogP3.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

2-(5-fluoro-3-pyridinyl)-4-iodo-5-methyl-1,3-thiazole
CID 118944509
N-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
CID 70833266
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
CID 59580713
4-ethyl-2-(5-fluoro-3-pyridinyl)-5-(1-methylsulfanylpropan-2-yl)pyrrolo[3,2-d][1,3]thiazol-6-ol
CID 70833250
4-bromo-2-(5-fluoro-3-pyridinyl)-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole
CID 159010576
1-[2-(3,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841167
2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-thiazole
CID 158110284
N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide
CID 59580834
2-(5-fluoro-3-pyridinyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 58236205
N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide
CID 70833336
2-(5-fluoro-3-pyridinyl)-5-methylsulfinyl-1,3-thiazole-4-carbonitrile
CID 123409764
4-bromo-2-(5-fluoro-3-pyridinyl)-5-methoxy-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole;4-bromo-2-(5-fluoro-3-pyridinyl)-5-methylsulfonyl-1,3-thiazole;4-bromo-5-methoxy-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfanyl-2-pyridin-3-yl-1,3-thiazole;4-bromo-5-methylsulfonyl-2-pyridin-3-yl-1,3-thiazole
CID 160511969

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole?
The IUPAC name of 4-ethyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole (CID 123457778) is 4-ethyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole is CCc1nc(-c2cncc(F)c2)sc1SC.
What is the InChIKey of 4-ethyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole?
The InChIKey is SMUDUCOADUVJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S2/c1-3-9-11(15-2)16-10(14-9)7-4-8(12)6-13-5-7/h4-6H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole?
4-ethyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole has a molecular weight of 254.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole is sourced from PubChem (CID 123457778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).