1,3-dimethyl-N-[(1R)-1-(5-methyl-2-pyridinyl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C15H19N5S — CID 97453339

IUPAC1,3-dimethyl-N-[(1R)-1-(5-methyl-2-pyridinyl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCC[C@@H](Nc1nc2c(s1)c(C)nn2C)c1ccc(C)cn1
InChIInChI=1S/C15H19N5S/c1-5-11(12-7-6-9(2)8-16-12)17-15-18-14-13(21-15)10(3)19-20(14)4/h6-8,11H,5H2,1-4H3,(H,17,18)/t11-/m1/s1
InChIKeyOAEMKTRQPNBRHP-LLVKDONJSA-N
MW301.42 g/mol
LogP3.60
Rot. Bonds4

About 1,3-dimethyl-N-[(1R)-1-(5-methyl-2-pyridinyl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

1,3-dimethyl-N-[(1R)-1-(5-methyl-2-pyridinyl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 97453339) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(1R)-1-(5-methyl-2-pyridinyl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(1R)-1-(5-methyl-2-pyridinyl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID97453339
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name1,3-dimethyl-N-[(1R)-1-(5-methyl-2-pyridinyl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCC[C@@H](Nc1nc2c(s1)c(C)nn2C)c1ccc(C)cn1
InChIInChI=1S/C15H19N5S/c1-5-11(12-7-6-9(2)8-16-12)17-15-18-14-13(21-15)10(3)19-20(14)4/h6-8,11H,5H2,1-4H3,(H,17,18)/t11-/m1/s1
InChIKeyOAEMKTRQPNBRHP-LLVKDONJSA-N
XLogP3.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(1R)-1-(5-methyl-2-pyridinyl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[(1R)-1-(5-methyl-2-pyridinyl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 97453339) is 1,3-dimethyl-N-[(1R)-1-(5-methyl-2-pyridinyl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(1R)-1-(5-methyl-2-pyridinyl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[(1R)-1-(5-methyl-2-pyridinyl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is CC[C@@H](Nc1nc2c(s1)c(C)nn2C)c1ccc(C)cn1.
What is the InChIKey of 1,3-dimethyl-N-[(1R)-1-(5-methyl-2-pyridinyl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is OAEMKTRQPNBRHP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N5S/c1-5-11(12-7-6-9(2)8-16-12)17-15-18-14-13(21-15)10(3)19-20(14)4/h6-8,11H,5H2,1-4H3,(H,17,18)/t11-/m1/s1.
What are the key properties of 1,3-dimethyl-N-[(1R)-1-(5-methyl-2-pyridinyl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-[(1R)-1-(5-methyl-2-pyridinyl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 301.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(1R)-1-(5-methyl-2-pyridinyl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 97453339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).