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

C14H17N5S2 — CID 72900142

IUPAC1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCCCC3c3nccs3)sc12
InChIInChI=1S/C14H17N5S2/c1-9-11-12(18(2)17-9)16-14(21-11)19-7-4-3-5-10(19)13-15-6-8-20-13/h6,8,10H,3-5,7H2,1-2H3
InChIKeyUMOVCOXEIDONPZ-UHFFFAOYSA-N
MW319.46 g/mol
LogP3.53
Rot. Bonds2

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

1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole (PubChem CID 72900142) has the molecular formula C14H17N5S2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
PubChem CID72900142
Molecular FormulaC14H17N5S2
Molecular Weight319.46 g/mol
Exact Mass319.09
IUPAC Name1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCCCC3c3nccs3)sc12
InChIInChI=1S/C14H17N5S2/c1-9-11-12(18(2)17-9)16-14(21-11)19-7-4-3-5-10(19)13-15-6-8-20-13/h6,8,10H,3-5,7H2,1-2H3
InChIKeyUMOVCOXEIDONPZ-UHFFFAOYSA-N
XLogP3.53
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The IUPAC name of 1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole (CID 72900142) is 1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole is Cc1nn(C)c2nc(N3CCCCC3c3nccs3)sc12.
What is the InChIKey of 1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The InChIKey is UMOVCOXEIDONPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S2/c1-9-11-12(18(2)17-9)16-14(21-11)19-7-4-3-5-10(19)13-15-6-8-20-13/h6,8,10H,3-5,7H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole has a molecular weight of 319.46 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)piperidin-1-yl]pyrazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 72900142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).