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

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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).