5-methyl-N-[2-methyl-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine

C14H19N5O2S2 — CID 110255461

IUPAC5-methyl-N-[2-methyl-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ncc(C)s2)cc(C2CCCN2S(C)(=O)=O)n1
InChIInChI=1S/C14H19N5O2S2/c1-9-8-15-14(22-9)18-13-7-11(16-10(2)17-13)12-5-4-6-19(12)23(3,20)21/h7-8,12H,4-6H2,1-3H3,(H,15,16,17,18)
InChIKeyFPZKLVVXXAWXLA-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.39
Rot. Bonds4

About 5-methyl-N-[2-methyl-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine

5-methyl-N-[2-methyl-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 110255461) has the molecular formula C14H19N5O2S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID110255461
Molecular FormulaC14H19N5O2S2
Molecular Weight353.47 g/mol
Exact Mass353.10
IUPAC Name5-methyl-N-[2-methyl-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ncc(C)s2)cc(C2CCCN2S(C)(=O)=O)n1
InChIInChI=1S/C14H19N5O2S2/c1-9-8-15-14(22-9)18-13-7-11(16-10(2)17-13)12-5-4-6-19(12)23(3,20)21/h7-8,12H,4-6H2,1-3H3,(H,15,16,17,18)
InChIKeyFPZKLVVXXAWXLA-UHFFFAOYSA-N
XLogP2.39
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[2-methyl-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 110255461) is 5-methyl-N-[2-methyl-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[2-methyl-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[2-methyl-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1nc(Nc2ncc(C)s2)cc(C2CCCN2S(C)(=O)=O)n1.
What is the InChIKey of 5-methyl-N-[2-methyl-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is FPZKLVVXXAWXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S2/c1-9-8-15-14(22-9)18-13-7-11(16-10(2)17-13)12-5-4-6-19(12)23(3,20)21/h7-8,12H,4-6H2,1-3H3,(H,15,16,17,18).
What are the key properties of 5-methyl-N-[2-methyl-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine?
5-methyl-N-[2-methyl-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 353.47 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 110255461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).