1,3-dimethyl-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole

C15H21N7S — CID 72863137

IUPAC1,3-dimethyl-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCN(Cc4nccn4C)CC3)sc12
InChIInChI=1S/C15H21N7S/c1-11-13-14(20(3)18-11)17-15(23-13)22-8-6-21(7-9-22)10-12-16-4-5-19(12)2/h4-5H,6-10H2,1-3H3
InChIKeyNAHYWIJDWDSEDQ-UHFFFAOYSA-N
MW331.45 g/mol
LogP1.39
Rot. Bonds3

About 1,3-dimethyl-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole

1,3-dimethyl-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole (PubChem CID 72863137) has the molecular formula C15H21N7S and a molecular weight of 331.45 g/mol. Its IUPAC name is 1,3-dimethyl-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name1,3-dimethyl-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole
PubChem CID72863137
Molecular FormulaC15H21N7S
Molecular Weight331.45 g/mol
Exact Mass331.16
IUPAC Name1,3-dimethyl-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCN(Cc4nccn4C)CC3)sc12
InChIInChI=1S/C15H21N7S/c1-11-13-14(20(3)18-11)17-15(23-13)22-8-6-21(7-9-22)10-12-16-4-5-19(12)2/h4-5H,6-10H2,1-3H3
InChIKeyNAHYWIJDWDSEDQ-UHFFFAOYSA-N
XLogP1.39
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The IUPAC name of 1,3-dimethyl-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole (CID 72863137) is 1,3-dimethyl-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 1,3-dimethyl-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 1,3-dimethyl-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole is Cc1nn(C)c2nc(N3CCN(Cc4nccn4C)CC3)sc12.
What is the InChIKey of 1,3-dimethyl-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The InChIKey is NAHYWIJDWDSEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7S/c1-11-13-14(20(3)18-11)17-15(23-13)22-8-6-21(7-9-22)10-12-16-4-5-19(12)2/h4-5H,6-10H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
1,3-dimethyl-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole has a molecular weight of 331.45 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 72863137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).