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

C15H18FN3O2S2 — CID 59580412

IUPACN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfinylpropanamide
SMILESCc1nc(-c2cncc(F)c2)sc1NC(=O)C(C)(C)CS(C)=O
InChIInChI=1S/C15H18FN3O2S2/c1-9-12(19-14(20)15(2,3)8-23(4)21)22-13(18-9)10-5-11(16)7-17-6-10/h5-7H,8H2,1-4H3,(H,19,20)
InChIKeyUXYJGFAZYGFNIQ-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.00
Rot. Bonds5

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

N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfinylpropanamide (PubChem CID 59580412) has the molecular formula C15H18FN3O2S2 and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfinylpropanamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfinylpropanamide
PubChem CID59580412
Molecular FormulaC15H18FN3O2S2
Molecular Weight355.46 g/mol
Exact Mass355.08
IUPAC NameN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfinylpropanamide
SMILESCc1nc(-c2cncc(F)c2)sc1NC(=O)C(C)(C)CS(C)=O
InChIInChI=1S/C15H18FN3O2S2/c1-9-12(19-14(20)15(2,3)8-23(4)21)22-13(18-9)10-5-11(16)7-17-6-10/h5-7H,8H2,1-4H3,(H,19,20)
InChIKeyUXYJGFAZYGFNIQ-UHFFFAOYSA-N
XLogP3.00
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfinylpropanamide?
The IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfinylpropanamide (CID 59580412) is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfinylpropanamide.
What is the SMILES notation for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfinylpropanamide?
The canonical SMILES for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfinylpropanamide is Cc1nc(-c2cncc(F)c2)sc1NC(=O)C(C)(C)CS(C)=O.
What is the InChIKey of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfinylpropanamide?
The InChIKey is UXYJGFAZYGFNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S2/c1-9-12(19-14(20)15(2,3)8-23(4)21)22-13(18-9)10-5-11(16)7-17-6-10/h5-7H,8H2,1-4H3,(H,19,20).
What are the key properties of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfinylpropanamide?
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfinylpropanamide has a molecular weight of 355.46 g/mol, XLogP of 3.00, 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]-2,2-dimethyl-3-methylsulfinylpropanamide is sourced from PubChem (CID 59580412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).