N,N-dimethyl-2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide

C14H19N5O2S2 — CID 110100416

IUPACN,N-dimethyl-2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide
SMILESCc1cc(-c2nccs2)nc(C2CCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C14H19N5O2S2/c1-10-9-11(14-15-6-8-22-14)17-13(16-10)12-5-4-7-19(12)23(20,21)18(2)3/h6,8-9,12H,4-5,7H2,1-3H3
InChIKeyLINQFDDRHGAFDW-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.85
Rot. Bonds4

About N,N-dimethyl-2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide

N,N-dimethyl-2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide (PubChem CID 110100416) has the molecular formula C14H19N5O2S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide
PubChem CID110100416
Molecular FormulaC14H19N5O2S2
Molecular Weight353.47 g/mol
Exact Mass353.10
IUPAC NameN,N-dimethyl-2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide
SMILESCc1cc(-c2nccs2)nc(C2CCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C14H19N5O2S2/c1-10-9-11(14-15-6-8-22-14)17-13(16-10)12-5-4-7-19(12)23(20,21)18(2)3/h6,8-9,12H,4-5,7H2,1-3H3
InChIKeyLINQFDDRHGAFDW-UHFFFAOYSA-N
XLogP1.85
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 110100418
(2S)-2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125014757
N,N-dimethyl-2-[5-(1,3-thiazol-2-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 110093241
2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 110101091
(2R)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 125026555
(2R)-2-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 124948683
N,N-dimethyl-2-[4-methyl-6-(2-propylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide
CID 127245981
(2S)-2-[4-(2-ethylpyrazol-3-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 124948122
N,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide
CID 110255655
(2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 95838692
4-(2-ethylpyrazol-3-yl)-6-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)pyrimidine
CID 110101083
N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 110265114

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide (CID 110100416) is N,N-dimethyl-2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide is Cc1cc(-c2nccs2)nc(C2CCCN2S(=O)(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide?
The InChIKey is LINQFDDRHGAFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S2/c1-10-9-11(14-15-6-8-22-14)17-13(16-10)12-5-4-7-19(12)23(20,21)18(2)3/h6,8-9,12H,4-5,7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide?
N,N-dimethyl-2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide has a molecular weight of 353.47 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-methyl-6-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 110100416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).