N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide

C13H14FN3OS2 — CID 59580713

IUPACN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1sc(-c2cncc(F)c2)nc1C
InChIInChI=1S/C13H14FN3OS2/c1-8-12(17-11(18)3-4-19-2)20-13(16-8)9-5-10(14)7-15-6-9/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyGYSZLSAQZDTPAC-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.34
Rot. Bonds5

About N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide

N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide (PubChem CID 59580713) has the molecular formula C13H14FN3OS2 and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
PubChem CID59580713
Molecular FormulaC13H14FN3OS2
Molecular Weight311.41 g/mol
Exact Mass311.06
IUPAC NameN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1sc(-c2cncc(F)c2)nc1C
InChIInChI=1S/C13H14FN3OS2/c1-8-12(17-11(18)3-4-19-2)20-13(16-8)9-5-10(14)7-15-6-9/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyGYSZLSAQZDTPAC-UHFFFAOYSA-N
XLogP3.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]-2-methyl-3-sulfanylpropanamide
CID 126635044
2-chloroethyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 118978089
N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide
CID 70833336
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfonylpropanamide
CID 59580925
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
CID 91754454
2-(5-fluoro-3-pyridinyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 58236205
N-[4-(1,1-difluoro-2-methylprop-2-enyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
CID 126635055
N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfonylpropanamide
CID 59580935
4-ethyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole
CID 123457778
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide
CID 118024063
1-[(E)-1-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-3-methylurea
CID 172935807

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide (CID 59580713) is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide is CSCCC(=O)Nc1sc(-c2cncc(F)c2)nc1C.
What is the InChIKey of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide?
The InChIKey is GYSZLSAQZDTPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS2/c1-8-12(17-11(18)3-4-19-2)20-13(16-8)9-5-10(14)7-15-6-9/h5-7H,3-4H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide?
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide has a molecular weight of 311.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 59580713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).