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

C14H15F2N3O2S2 — CID 59580438

IUPACN-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfinylpropanamide
SMILESCC(CS(C)=O)C(=O)N(C)c1sc(-c2cncc(F)c2)nc1F
InChIInChI=1S/C14H15F2N3O2S2/c1-8(7-23(3)21)13(20)19(2)14-11(16)18-12(22-14)9-4-10(15)6-17-5-9/h4-6,8H,7H2,1-3H3
InChIKeyNOCHWUWZAURLHA-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.46
Rot. Bonds5

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

N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfinylpropanamide (PubChem CID 59580438) has the molecular formula C14H15F2N3O2S2 and a molecular weight of 359.42 g/mol. Its IUPAC name is N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfinylpropanamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfinylpropanamide
PubChem CID59580438
Molecular FormulaC14H15F2N3O2S2
Molecular Weight359.42 g/mol
Exact Mass359.06
IUPAC NameN-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfinylpropanamide
SMILESCC(CS(C)=O)C(=O)N(C)c1sc(-c2cncc(F)c2)nc1F
InChIInChI=1S/C14H15F2N3O2S2/c1-8(7-23(3)21)13(20)19(2)14-11(16)18-12(22-14)9-4-10(15)6-17-5-9/h4-6,8H,7H2,1-3H3
InChIKeyNOCHWUWZAURLHA-UHFFFAOYSA-N
XLogP2.46
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-N,2-dimethyl-3-sulfanylpropanamide
CID 126635494
N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfonylpropanamide
CID 59580761
N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide
CID 70833336
propan-2-yl N-[2-(5-fluoro-3-pyridinyl)-4-iodo-1,3-thiazol-5-yl]-N-methylcarbamate
CID 118944690
N-ethyl-N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-3-methylsulfinylpropanamide
CID 59580834
N-[4-chloro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfonylpropanamide
CID 59580718
N-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-methyl-3-methylsulfinylpropanamide
CID 59580759
N-[4-chloro-2-(5-fluoro-1-oxidopyridin-1-ium-3-yl)-1,3-thiazol-5-yl]-N-ethyl-2-methyl-3-methylsulfinylpropanamide
CID 118032569
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2-methyl-3-methylsulfanyl-N-prop-2-ynylpropanamide
CID 118024063
2-(5-fluoro-3-pyridinyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 58236205
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-N-prop-2-ynyl-3-(3,3,3-trifluoropropylsulfanyl)propanamide
CID 118029824

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfinylpropanamide?
The IUPAC name of N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfinylpropanamide (CID 59580438) is N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfinylpropanamide.
What is the SMILES notation for N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfinylpropanamide?
The canonical SMILES for N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfinylpropanamide is CC(CS(C)=O)C(=O)N(C)c1sc(-c2cncc(F)c2)nc1F.
What is the InChIKey of N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfinylpropanamide?
The InChIKey is NOCHWUWZAURLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2S2/c1-8(7-23(3)21)13(20)19(2)14-11(16)18-12(22-14)9-4-10(15)6-17-5-9/h4-6,8H,7H2,1-3H3.
What are the key properties of N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfinylpropanamide?
N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N,2-dimethyl-3-methylsulfinylpropanamide has a molecular weight of 359.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 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]-N,2-dimethyl-3-methylsulfinylpropanamide is sourced from PubChem (CID 59580438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).