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

C15H20N6S2 — CID 72838156

IUPAC1,3-dimethyl-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nc(CN2CCN(c3nc4c(s3)c(C)nn4C)CC2)cs1
InChIInChI=1S/C15H20N6S2/c1-10-13-14(19(3)18-10)17-15(23-13)21-6-4-20(5-7-21)8-12-9-22-11(2)16-12/h9H,4-8H2,1-3H3
InChIKeyBYFXPRRILFRYBG-UHFFFAOYSA-N
MW348.50 g/mol
LogP2.43
Rot. Bonds3

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

1,3-dimethyl-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole (PubChem CID 72838156) has the molecular formula C15H20N6S2 and a molecular weight of 348.50 g/mol. Its IUPAC name is 1,3-dimethyl-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name1,3-dimethyl-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole
PubChem CID72838156
Molecular FormulaC15H20N6S2
Molecular Weight348.50 g/mol
Exact Mass348.12
IUPAC Name1,3-dimethyl-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nc(CN2CCN(c3nc4c(s3)c(C)nn4C)CC2)cs1
InChIInChI=1S/C15H20N6S2/c1-10-13-14(19(3)18-10)17-15(23-13)21-6-4-20(5-7-21)8-12-9-22-11(2)16-12/h9H,4-8H2,1-3H3
InChIKeyBYFXPRRILFRYBG-UHFFFAOYSA-N
XLogP2.43
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 52.43
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-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The IUPAC name of 1,3-dimethyl-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole (CID 72838156) is 1,3-dimethyl-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 1,3-dimethyl-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 1,3-dimethyl-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole is Cc1nc(CN2CCN(c3nc4c(s3)c(C)nn4C)CC2)cs1.
What is the InChIKey of 1,3-dimethyl-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The InChIKey is BYFXPRRILFRYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6S2/c1-10-13-14(19(3)18-10)17-15(23-13)21-6-4-20(5-7-21)8-12-9-22-11(2)16-12/h9H,4-8H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
1,3-dimethyl-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole has a molecular weight of 348.50 g/mol, XLogP of 2.43, 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-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 72838156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).