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

C12H15N5O2S2 — CID 127245150

IUPACN-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCS(=O)(=O)N1CCCC1c1nccnc1Nc1nccs1
InChIInChI=1S/C12H15N5O2S2/c1-21(18,19)17-7-2-3-9(17)10-11(14-5-4-13-10)16-12-15-6-8-20-12/h4-6,8-9H,2-3,7H2,1H3,(H,14,15,16)
InChIKeyATIMRBOCFWEOPI-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.77
Rot. Bonds4

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

N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 127245150) has the molecular formula C12H15N5O2S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine
PubChem CID127245150
Molecular FormulaC12H15N5O2S2
Molecular Weight325.42 g/mol
Exact Mass325.07
IUPAC NameN-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCS(=O)(=O)N1CCCC1c1nccnc1Nc1nccs1
InChIInChI=1S/C12H15N5O2S2/c1-21(18,19)17-7-2-3-9(17)10-11(14-5-4-13-10)16-12-15-6-8-20-12/h4-6,8-9H,2-3,7H2,1H3,(H,14,15,16)
InChIKeyATIMRBOCFWEOPI-UHFFFAOYSA-N
XLogP1.77
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-amine
CID 110269291
2-[(2S)-2-[3-(1,3-thiazol-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95828031
2-(5-methyl-1H-pyrazol-3-yl)-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrazine
CID 124978004
5-[(2R)-1-methylsulfonylpyrrolidin-2-yl]imidazo[1,2-a]pyrimidine
CID 124641260
1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95844570
N-[4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 95837680
(2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95274519
N-[2-methyl-6-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95820390
3-[(2R)-1-cyclopentylpyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 95817095
2-(4-methylphenyl)-1-methylsulfonylpyrrolidine
CID 53003266
1-[(2R)-2-[2-methyl-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95820412
1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 110750444

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine (CID 127245150) is N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine is CS(=O)(=O)N1CCCC1c1nccnc1Nc1nccs1.
What is the InChIKey of N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is ATIMRBOCFWEOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S2/c1-21(18,19)17-7-2-3-9(17)10-11(14-5-4-13-10)16-12-15-6-8-20-12/h4-6,8-9H,2-3,7H2,1H3,(H,14,15,16).
What are the key properties of N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine?
N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 325.42 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 127245150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).