(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

C16H22N6OS — CID 136573394

IUPAC(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1csc(N2CCN(C(=O)c3c(C)nn4c3NCCC4)CC2)n1
InChIInChI=1S/C16H22N6OS/c1-11-10-24-16(18-11)21-8-6-20(7-9-21)15(23)13-12(2)19-22-5-3-4-17-14(13)22/h10,17H,3-9H2,1-2H3
InChIKeyMJGAKEBKASDWLY-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.73
Rot. Bonds2

About (2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone

(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 136573394) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is (2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID136573394
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1csc(N2CCN(C(=O)c3c(C)nn4c3NCCC4)CC2)n1
InChIInChI=1S/C16H22N6OS/c1-11-10-24-16(18-11)21-8-6-20(7-9-21)15(23)13-12(2)19-22-5-3-4-17-14(13)22/h10,17H,3-9H2,1-2H3
InChIKeyMJGAKEBKASDWLY-UHFFFAOYSA-N
XLogP1.73
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone 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 (2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 136573394) is (2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is Cc1csc(N2CCN(C(=O)c3c(C)nn4c3NCCC4)CC2)n1.
What is the InChIKey of (2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is MJGAKEBKASDWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-11-10-24-16(18-11)21-8-6-20(7-9-21)15(23)13-12(2)19-22-5-3-4-17-14(13)22/h10,17H,3-9H2,1-2H3.
What are the key properties of (2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 346.46 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 136573394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).