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

C15H18FN3O3S2 — CID 59580401

IUPACN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfonylpropanamide
SMILESCc1nc(-c2cncc(F)c2)sc1NC(=O)C(C)(C)CS(C)(=O)=O
InChIInChI=1S/C15H18FN3O3S2/c1-9-12(19-14(20)15(2,3)8-24(4,21)22)23-13(18-9)10-5-11(16)7-17-6-10/h5-7H,8H2,1-4H3,(H,19,20)
InChIKeyNQMLVLUFSLQUMH-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.66
Rot. Bonds5

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

N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfonylpropanamide (PubChem CID 59580401) has the molecular formula C15H18FN3O3S2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfonylpropanamide
PubChem CID59580401
Molecular FormulaC15H18FN3O3S2
Molecular Weight371.46 g/mol
Exact Mass371.08
IUPAC NameN-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfonylpropanamide
SMILESCc1nc(-c2cncc(F)c2)sc1NC(=O)C(C)(C)CS(C)(=O)=O
InChIInChI=1S/C15H18FN3O3S2/c1-9-12(19-14(20)15(2,3)8-24(4,21)22)23-13(18-9)10-5-11(16)7-17-6-10/h5-7H,8H2,1-4H3,(H,19,20)
InChIKeyNQMLVLUFSLQUMH-UHFFFAOYSA-N
XLogP2.66
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-methylsulfonylpropanamide?
The IUPAC name of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfonylpropanamide (CID 59580401) is N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfonylpropanamide.
What is the SMILES notation for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfonylpropanamide?
The canonical SMILES for N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfonylpropanamide is Cc1nc(-c2cncc(F)c2)sc1NC(=O)C(C)(C)CS(C)(=O)=O.
What is the InChIKey of N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfonylpropanamide?
The InChIKey is NQMLVLUFSLQUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3S2/c1-9-12(19-14(20)15(2,3)8-24(4,21)22)23-13(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-methylsulfonylpropanamide?
N-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-2,2-dimethyl-3-methylsulfonylpropanamide has a molecular weight of 371.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-methylsulfonylpropanamide is sourced from PubChem (CID 59580401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).