(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine

C17H22N6S — CID 164636230

IUPAC(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine
SMILESCc1cc(C)n(C[C@H](C)NCCc2csc(-c3ncccn3)n2)n1
InChIInChI=1S/C17H22N6S/c1-12-9-14(3)23(22-12)10-13(2)18-8-5-15-11-24-17(21-15)16-19-6-4-7-20-16/h4,6-7,9,11,13,18H,5,8,10H2,1-3H3/t13-/m0/s1
InChIKeyDPOXUUZUQFHOGR-ZDUSSCGKSA-N
MW342.47 g/mol
LogP2.63
Rot. Bonds7

About (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine

(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine (PubChem CID 164636230) has the molecular formula C17H22N6S and a molecular weight of 342.47 g/mol. Its IUPAC name is (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine
PubChem CID164636230
Molecular FormulaC17H22N6S
Molecular Weight342.47 g/mol
Exact Mass342.16
IUPAC Name(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine
SMILESCc1cc(C)n(C[C@H](C)NCCc2csc(-c3ncccn3)n2)n1
InChIInChI=1S/C17H22N6S/c1-12-9-14(3)23(22-12)10-13(2)18-8-5-15-11-24-17(21-15)16-19-6-4-7-20-16/h4,6-7,9,11,13,18H,5,8,10H2,1-3H3/t13-/m0/s1
InChIKeyDPOXUUZUQFHOGR-ZDUSSCGKSA-N
XLogP2.63
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine?
The IUPAC name of (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine (CID 164636230) is (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine.
What is the SMILES notation for (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine?
The canonical SMILES for (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine is Cc1cc(C)n(C[C@H](C)NCCc2csc(-c3ncccn3)n2)n1.
What is the InChIKey of (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine?
The InChIKey is DPOXUUZUQFHOGR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N6S/c1-12-9-14(3)23(22-12)10-13(2)18-8-5-15-11-24-17(21-15)16-19-6-4-7-20-16/h4,6-7,9,11,13,18H,5,8,10H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine?
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine has a molecular weight of 342.47 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine is sourced from PubChem (CID 164636230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).