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

C13H15N5S2 — CID 72914671

IUPAC1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCCC3c3nccs3)sc12
InChIInChI=1S/C13H15N5S2/c1-8-10-11(17(2)16-8)15-13(20-10)18-6-3-4-9(18)12-14-5-7-19-12/h5,7,9H,3-4,6H2,1-2H3
InChIKeyPBBNAMCKLAMVGH-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.14
Rot. Bonds2

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

1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole (PubChem CID 72914671) has the molecular formula C13H15N5S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
PubChem CID72914671
Molecular FormulaC13H15N5S2
Molecular Weight305.43 g/mol
Exact Mass305.08
IUPAC Name1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3CCCC3c3nccs3)sc12
InChIInChI=1S/C13H15N5S2/c1-8-10-11(17(2)16-8)15-13(20-10)18-6-3-4-9(18)12-14-5-7-19-12/h5,7,9H,3-4,6H2,1-2H3
InChIKeyPBBNAMCKLAMVGH-UHFFFAOYSA-N
XLogP3.14
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.14
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)pyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The IUPAC name of 1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole (CID 72914671) is 1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)pyrrolidin-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)pyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole is Cc1nn(C)c2nc(N3CCCC3c3nccs3)sc12.
What is the InChIKey of 1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
The InChIKey is PBBNAMCKLAMVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S2/c1-8-10-11(17(2)16-8)15-13(20-10)18-6-3-4-9(18)12-14-5-7-19-12/h5,7,9H,3-4,6H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole?
1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole has a molecular weight of 305.43 g/mol, XLogP of 3.14, 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)pyrrolidin-1-yl]pyrazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 72914671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).