N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

C15H25N5OS — CID 72852162

IUPACN'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCc1nn(C)c2nc(N(CCN(C)C)CC3CCCO3)sc12
InChIInChI=1S/C15H25N5OS/c1-11-13-14(19(4)17-11)16-15(22-13)20(8-7-18(2)3)10-12-6-5-9-21-12/h12H,5-10H2,1-4H3
InChIKeyJUYGPGSEMNEMDV-UHFFFAOYSA-N
MW323.47 g/mol
LogP1.89
Rot. Bonds6

About N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 72852162) has the molecular formula C15H25N5OS and a molecular weight of 323.47 g/mol. Its IUPAC name is N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID72852162
Molecular FormulaC15H25N5OS
Molecular Weight323.47 g/mol
Exact Mass323.18
IUPAC NameN'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCc1nn(C)c2nc(N(CCN(C)C)CC3CCCO3)sc12
InChIInChI=1S/C15H25N5OS/c1-11-13-14(19(4)17-11)16-15(22-13)20(8-7-18(2)3)10-12-6-5-9-21-12/h12H,5-10H2,1-4H3
InChIKeyJUYGPGSEMNEMDV-UHFFFAOYSA-N
XLogP1.89
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 72852162) is N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is Cc1nn(C)c2nc(N(CCN(C)C)CC3CCCO3)sc12.
What is the InChIKey of N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is JUYGPGSEMNEMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5OS/c1-11-13-14(19(4)17-11)16-15(22-13)20(8-7-18(2)3)10-12-6-5-9-21-12/h12H,5-10H2,1-4H3.
What are the key properties of N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
N'-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 323.47 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 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-dimethyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 72852162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).