2-[2-methyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole

C14H17N7S — CID 71933056

IUPAC2-[2-methyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
SMILESCC1CN(c2ncnc3c2cnn3C)CCN1c1nccs1
InChIInChI=1S/C14H17N7S/c1-10-8-20(4-5-21(10)14-15-3-6-22-14)13-11-7-18-19(2)12(11)16-9-17-13/h3,6-7,9-10H,4-5,8H2,1-2H3
InChIKeyXARCPMBMSLTWLA-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.53
Rot. Bonds2

About 2-[2-methyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole

2-[2-methyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole (PubChem CID 71933056) has the molecular formula C14H17N7S and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[2-methyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-methyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
PubChem CID71933056
Molecular FormulaC14H17N7S
Molecular Weight315.41 g/mol
Exact Mass315.13
IUPAC Name2-[2-methyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
SMILESCC1CN(c2ncnc3c2cnn3C)CCN1c1nccs1
InChIInChI=1S/C14H17N7S/c1-10-8-20(4-5-21(10)14-15-3-6-22-14)13-11-7-18-19(2)12(11)16-9-17-13/h3,6-7,9-10H,4-5,8H2,1-2H3
InChIKeyXARCPMBMSLTWLA-UHFFFAOYSA-N
XLogP1.53
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[2-methyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole (CID 71933056) is 2-[2-methyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[2-methyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[2-methyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole is CC1CN(c2ncnc3c2cnn3C)CCN1c1nccs1.
What is the InChIKey of 2-[2-methyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is XARCPMBMSLTWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7S/c1-10-8-20(4-5-21(10)14-15-3-6-22-14)13-11-7-18-19(2)12(11)16-9-17-13/h3,6-7,9-10H,4-5,8H2,1-2H3.
What are the key properties of 2-[2-methyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole?
2-[2-methyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 315.41 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 71933056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).