3,5-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C14H17N5S — CID 167860483

IUPAC3,5-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)c2csc(C)n2)n2ncc(C)c2n1
InChIInChI=1S/C14H17N5S/c1-8-6-15-19-13(5-9(2)16-14(8)19)17-10(3)12-7-20-11(4)18-12/h5-7,10,17H,1-4H3
InChIKeyFPCDETBPYWIPPG-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.28
Rot. Bonds3

About 3,5-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

3,5-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 167860483) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID167860483
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name3,5-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)c2csc(C)n2)n2ncc(C)c2n1
InChIInChI=1S/C14H17N5S/c1-8-6-15-19-13(5-9(2)16-14(8)19)17-10(3)12-7-20-11(4)18-12/h5-7,10,17H,1-4H3
InChIKeyFPCDETBPYWIPPG-UHFFFAOYSA-N
XLogP3.28
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3,5-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 167860483) is 3,5-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3,5-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3,5-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC(C)c2csc(C)n2)n2ncc(C)c2n1.
What is the InChIKey of 3,5-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FPCDETBPYWIPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-8-6-15-19-13(5-9(2)16-14(8)19)17-10(3)12-7-20-11(4)18-12/h5-7,10,17H,1-4H3.
What are the key properties of 3,5-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3,5-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 287.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 167860483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).