2-methyl-4-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole

C16H24N6S — CID 56885364

IUPAC2-methyl-4-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCN(Cc3cc4n(n3)CCNC4)CC2)cs1
InChIInChI=1S/C16H24N6S/c1-13-18-15(12-23-13)11-21-6-4-20(5-7-21)10-14-8-16-9-17-2-3-22(16)19-14/h8,12,17H,2-7,9-11H2,1H3
InChIKeyGVEWQFWTVNDHHK-UHFFFAOYSA-N
MW332.48 g/mol
LogP1.07
Rot. Bonds4

About 2-methyl-4-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole

2-methyl-4-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 56885364) has the molecular formula C16H24N6S and a molecular weight of 332.48 g/mol. Its IUPAC name is 2-methyl-4-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID56885364
Molecular FormulaC16H24N6S
Molecular Weight332.48 g/mol
Exact Mass332.18
IUPAC Name2-methyl-4-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCN(Cc3cc4n(n3)CCNC4)CC2)cs1
InChIInChI=1S/C16H24N6S/c1-13-18-15(12-23-13)11-21-6-4-20(5-7-21)10-14-8-16-9-17-2-3-22(16)19-14/h8,12,17H,2-7,9-11H2,1H3
InChIKeyGVEWQFWTVNDHHK-UHFFFAOYSA-N
XLogP1.07
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole (CID 56885364) is 2-methyl-4-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole is Cc1nc(CN2CCN(Cc3cc4n(n3)CCNC4)CC2)cs1.
What is the InChIKey of 2-methyl-4-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is GVEWQFWTVNDHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6S/c1-13-18-15(12-23-13)11-21-6-4-20(5-7-21)10-14-8-16-9-17-2-3-22(16)19-14/h8,12,17H,2-7,9-11H2,1H3.
What are the key properties of 2-methyl-4-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?
2-methyl-4-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 332.48 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 56885364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).