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

C14H20N6S — CID 56917819

IUPAC2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1,3-thiazole
SMILESc1csc(N2CCN(Cc3cc4n(n3)CCNC4)CC2)n1
InChIInChI=1S/C14H20N6S/c1-3-20-13(10-15-1)9-12(17-20)11-18-4-6-19(7-5-18)14-16-2-8-21-14/h2,8-9,15H,1,3-7,10-11H2
InChIKeyOPOATCFKWUYDEG-UHFFFAOYSA-N
MW304.42 g/mol
LogP0.76
Rot. Bonds3

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

2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1,3-thiazole (PubChem CID 56917819) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1,3-thiazole
PubChem CID56917819
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1,3-thiazole
SMILESc1csc(N2CCN(Cc3cc4n(n3)CCNC4)CC2)n1
InChIInChI=1S/C14H20N6S/c1-3-20-13(10-15-1)9-12(17-20)11-18-4-6-19(7-5-18)14-16-2-8-21-14/h2,8-9,15H,1,3-7,10-11H2
InChIKeyOPOATCFKWUYDEG-UHFFFAOYSA-N
XLogP0.76
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53624432
N-[[6-(cyclopropylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methyl]-1,3-thiazol-2-amine
CID 97404956
N-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]-2-thiazolamine
CID 565992
N-methyl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 56906535
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 164636230
N-[[2-(2-amino-6-methylpyrimidin-4-yl)-5-methylpyrazol-3-yl]methyl]-1,3-thiazol-2-amine
CID 126962343
5-(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-amine dihydrochloride
CID 56910684
N,N-dimethyl-1-[1-methyl-6-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methanamine
CID 97404984
1-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3-thiazol-2-yl}-4-methylpiperidine
CID 1481543
1-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3-thiazol-2-yl}-4-methylpiperazine
CID 1485217
2-[4-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1,3-thiazole
CID 18133572
2-(3,5-Dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine
CID 24823594

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1,3-thiazole (CID 56917819) is 2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1,3-thiazole is c1csc(N2CCN(Cc3cc4n(n3)CCNC4)CC2)n1.
What is the InChIKey of 2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is OPOATCFKWUYDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-3-20-13(10-15-1)9-12(17-20)11-18-4-6-19(7-5-18)14-16-2-8-21-14/h2,8-9,15H,1,3-7,10-11H2.
What are the key properties of 2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1,3-thiazole?
2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 304.42 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 56917819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).