N-cyclopropyl-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine

C13H15N5S2 — CID 72839488

IUPACN-cyclopropyl-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N(Cc3nccs3)C3CC3)sc12
InChIInChI=1S/C13H15N5S2/c1-8-11-12(17(2)16-8)15-13(20-11)18(9-3-4-9)7-10-14-5-6-19-10/h5-6,9H,3-4,7H2,1-2H3
InChIKeyYVVLEXIFHBNMKM-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.96
Rot. Bonds4

About N-cyclopropyl-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine

N-cyclopropyl-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72839488) has the molecular formula C13H15N5S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is N-cyclopropyl-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72839488
Molecular FormulaC13H15N5S2
Molecular Weight305.43 g/mol
Exact Mass305.08
IUPAC NameN-cyclopropyl-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N(Cc3nccs3)C3CC3)sc12
InChIInChI=1S/C13H15N5S2/c1-8-11-12(17(2)16-8)15-13(20-11)18(9-3-4-9)7-10-14-5-6-19-10/h5-6,9H,3-4,7H2,1-2H3
InChIKeyYVVLEXIFHBNMKM-UHFFFAOYSA-N
XLogP2.96
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-cyclopropyl-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72839488) is N-cyclopropyl-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-cyclopropyl-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(N(Cc3nccs3)C3CC3)sc12.
What is the InChIKey of N-cyclopropyl-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is YVVLEXIFHBNMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S2/c1-8-11-12(17(2)16-8)15-13(20-11)18(9-3-4-9)7-10-14-5-6-19-10/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of N-cyclopropyl-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
N-cyclopropyl-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 305.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72839488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).