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

C12H11F2N3O2S2 — CID 70833336

IUPACN-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide
SMILESCS(=O)CCC(=O)Nc1sc(-c2cncc(F)c2)nc1F
InChIInChI=1S/C12H11F2N3O2S2/c1-21(19)3-2-9(18)16-12-10(14)17-11(20-12)7-4-8(13)6-15-5-7/h4-6H,2-3H2,1H3,(H,16,18)
InChIKeyNZPCZKVNOIJMQK-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.19
Rot. Bonds5

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

N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide (PubChem CID 70833336) has the molecular formula C12H11F2N3O2S2 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide
PubChem CID70833336
Molecular FormulaC12H11F2N3O2S2
Molecular Weight331.37 g/mol
Exact Mass331.03
IUPAC NameN-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide
SMILESCS(=O)CCC(=O)Nc1sc(-c2cncc(F)c2)nc1F
InChIInChI=1S/C12H11F2N3O2S2/c1-21(19)3-2-9(18)16-12-10(14)17-11(20-12)7-4-8(13)6-15-5-7/h4-6H,2-3H2,1H3,(H,16,18)
InChIKeyNZPCZKVNOIJMQK-UHFFFAOYSA-N
XLogP2.19
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
CID 59580713
N-[4-amino-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfanylpropanamide
CID 70833266
N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide
CID 59580834
N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfinylpropanamide
CID 59580759
N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfinylpropanamide
CID 59580438
2-chloroethyl N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 118978089
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-sulfanylpropanamide
CID 126635044
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfonylpropanamide
CID 59580925
N-[4-cyano-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 59580631
2-(5-fluoro-3-pyridinyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 58236205
2-(5-fluoro-3-pyridinyl)-5-methylsulfinyl-1,3-thiazole-4-carbonitrile
CID 123409764
4-ethyl-2-(5-fluoro-3-pyridinyl)-5-methylsulfanyl-1,3-thiazole
CID 123457778

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide?
The IUPAC name of N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide (CID 70833336) is N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide.
What is the SMILES notation for N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide?
The canonical SMILES for N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide is CS(=O)CCC(=O)Nc1sc(-c2cncc(F)c2)nc1F.
What is the InChIKey of N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide?
The InChIKey is NZPCZKVNOIJMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2S2/c1-21(19)3-2-9(18)16-12-10(14)17-11(20-12)7-4-8(13)6-15-5-7/h4-6H,2-3H2,1H3,(H,16,18).
What are the key properties of N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide?
N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide has a molecular weight of 331.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide is sourced from PubChem (CID 70833336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).