4-methyl-N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine

C13H17N5O2S2 — CID 118740338

IUPAC4-methyl-N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2nccnc2C2CCCN2S(C)(=O)=O)n1
InChIInChI=1S/C13H17N5O2S2/c1-9-8-21-13(16-9)17-12-11(14-5-6-15-12)10-4-3-7-18(10)22(2,19)20/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,16,17)
InChIKeyFSCDGSIKKAYVKS-UHFFFAOYSA-N
MW339.45 g/mol
LogP2.08
Rot. Bonds4

About 4-methyl-N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine

4-methyl-N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 118740338) has the molecular formula C13H17N5O2S2 and a molecular weight of 339.45 g/mol. Its IUPAC name is 4-methyl-N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine
PubChem CID118740338
Molecular FormulaC13H17N5O2S2
Molecular Weight339.45 g/mol
Exact Mass339.08
IUPAC Name4-methyl-N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2nccnc2C2CCCN2S(C)(=O)=O)n1
InChIInChI=1S/C13H17N5O2S2/c1-9-8-21-13(16-9)17-12-11(14-5-6-15-12)10-4-3-7-18(10)22(2,19)20/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,16,17)
InChIKeyFSCDGSIKKAYVKS-UHFFFAOYSA-N
XLogP2.08
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine (CID 118740338) is 4-methyl-N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine is Cc1csc(Nc2nccnc2C2CCCN2S(C)(=O)=O)n1.
What is the InChIKey of 4-methyl-N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is FSCDGSIKKAYVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S2/c1-9-8-21-13(16-9)17-12-11(14-5-6-15-12)10-4-3-7-18(10)22(2,19)20/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,16,17).
What are the key properties of 4-methyl-N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine?
4-methyl-N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 339.45 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118740338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).