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

C13H15N3O3S2 — CID 59580935

IUPACN-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfonylpropanamide
SMILESCc1nc(-c2cccnc2)sc1NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C13H15N3O3S2/c1-9-12(16-11(17)5-7-21(2,18)19)20-13(15-9)10-4-3-6-14-8-10/h3-4,6,8H,5,7H2,1-2H3,(H,16,17)
InChIKeyNTOXPJRRVOXIKG-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.89
Rot. Bonds5

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

N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfonylpropanamide (PubChem CID 59580935) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfonylpropanamide
PubChem CID59580935
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC NameN-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfonylpropanamide
SMILESCc1nc(-c2cccnc2)sc1NC(=O)CCS(C)(=O)=O
InChIInChI=1S/C13H15N3O3S2/c1-9-12(16-11(17)5-7-21(2,18)19)20-13(15-9)10-4-3-6-14-8-10/h3-4,6,8H,5,7H2,1-2H3,(H,16,17)
InChIKeyNTOXPJRRVOXIKG-UHFFFAOYSA-N
XLogP1.89
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methylsulfonyl-N-(2-pyridin-3-yl-[1,3]thiazolo[5,4-b]pyridin-5-yl)propanamide
CID 121380152
N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylacetamide
CID 75503297
N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide
CID 59580621
N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide
CID 59580614
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
CID 91754454
(1-methylcyclohexyl) N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
CID 59580446
1-formyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)azetidine-2-carboxamide
CID 126635303
N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 110329096
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
3-(difluoromethylsulfanyl)-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)benzamide
CID 59580977
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfonylpropanamide (CID 59580935) is N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfonylpropanamide is Cc1nc(-c2cccnc2)sc1NC(=O)CCS(C)(=O)=O.
What is the InChIKey of N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfonylpropanamide?
The InChIKey is NTOXPJRRVOXIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-9-12(16-11(17)5-7-21(2,18)19)20-13(15-9)10-4-3-6-14-8-10/h3-4,6,8H,5,7H2,1-2H3,(H,16,17).
What are the key properties of N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfonylpropanamide?
N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfonylpropanamide has a molecular weight of 325.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 59580935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).