2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide

C15H19N3O2S2 — CID 59580614

IUPAC2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide
SMILESCc1nc(-c2cccnc2)sc1NC(=O)C(C)(C)CS(C)=O
InChIInChI=1S/C15H19N3O2S2/c1-10-12(18-14(19)15(2,3)9-22(4)20)21-13(17-10)11-6-5-7-16-8-11/h5-8H,9H2,1-4H3,(H,18,19)
InChIKeyLPPMVYXGMBKUTF-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.86
Rot. Bonds5

About 2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide

2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide (PubChem CID 59580614) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide
PubChem CID59580614
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide
SMILESCc1nc(-c2cccnc2)sc1NC(=O)C(C)(C)CS(C)=O
InChIInChI=1S/C15H19N3O2S2/c1-10-12(18-14(19)15(2,3)9-22(4)20)21-13(17-10)11-6-5-7-16-8-11/h5-8H,9H2,1-4H3,(H,18,19)
InChIKeyLPPMVYXGMBKUTF-UHFFFAOYSA-N
XLogP2.86
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide?
The IUPAC name of 2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide (CID 59580614) is 2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide is Cc1nc(-c2cccnc2)sc1NC(=O)C(C)(C)CS(C)=O.
What is the InChIKey of 2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide?
The InChIKey is LPPMVYXGMBKUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-10-12(18-14(19)15(2,3)9-22(4)20)21-13(17-10)11-6-5-7-16-8-11/h5-8H,9H2,1-4H3,(H,18,19).
What are the key properties of 2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide?
2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide has a molecular weight of 337.47 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide is sourced from PubChem (CID 59580614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).