N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N,N'-trimethylethane-1,2-diamine

C11H19N5S — CID 72897142

IUPACN'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCc1nn(C)c2nc(N(C)CCN(C)C)sc12
InChIInChI=1S/C11H19N5S/c1-8-9-10(16(5)13-8)12-11(17-9)15(4)7-6-14(2)3/h6-7H2,1-5H3
InChIKeyXHPPBEZMWTZYSX-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.34
Rot. Bonds4

About N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N,N'-trimethylethane-1,2-diamine

N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 72897142) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID72897142
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC NameN'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCc1nn(C)c2nc(N(C)CCN(C)C)sc12
InChIInChI=1S/C11H19N5S/c1-8-9-10(16(5)13-8)12-11(17-9)15(4)7-6-14(2)3/h6-7H2,1-5H3
InChIKeyXHPPBEZMWTZYSX-UHFFFAOYSA-N
XLogP1.34
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N,N'-trimethylethane-1,2-diamine (CID 72897142) is N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N,N'-trimethylethane-1,2-diamine is Cc1nn(C)c2nc(N(C)CCN(C)C)sc12.
What is the InChIKey of N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is XHPPBEZMWTZYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c1-8-9-10(16(5)13-8)12-11(17-9)15(4)7-6-14(2)3/h6-7H2,1-5H3.
What are the key properties of N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 253.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 72897142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).