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

C11H18N4OS — CID 72845845

IUPAC1,3-dimethyl-N-(2-propoxyethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCCCOCCNc1nc2c(s1)c(C)nn2C
InChIInChI=1S/C11H18N4OS/c1-4-6-16-7-5-12-11-13-10-9(17-11)8(2)14-15(10)3/h4-7H2,1-3H3,(H,12,13)
InChIKeyMFHGMUGUUDRKAR-UHFFFAOYSA-N
MW254.36 g/mol
LogP2.18
Rot. Bonds6

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

1,3-dimethyl-N-(2-propoxyethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72845845) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-propoxyethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-propoxyethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72845845
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name1,3-dimethyl-N-(2-propoxyethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCCCOCCNc1nc2c(s1)c(C)nn2C
InChIInChI=1S/C11H18N4OS/c1-4-6-16-7-5-12-11-13-10-9(17-11)8(2)14-15(10)3/h4-7H2,1-3H3,(H,12,13)
InChIKeyMFHGMUGUUDRKAR-UHFFFAOYSA-N
XLogP2.18
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72916508
1,3-dimethyl-1H,2H,5H-pyrazolo[3,4-d][1,3]thiazol-5-imine
CID 83667885
N,N-bis(2-methoxyethyl)-1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72851027
N-(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)-N',N'-dimethyl-N-(tetrahydrofuran-2-ylmethyl)ethane-1,2-diamine
CID 72852162
1,3-dimethyl-N-[1-(1H-tetrazol-5-yl)ethyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72877630
N-(3-ethoxypropyl)-1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72883953
N-(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)-N,N',N'-trimethylethane-1,2-diamine
CID 72897142
N-[2-(ethylthio)ethyl]-1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72898138
N-{[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl}-N,1,3-trimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72903384
1,3-dimethyl-N-4-piperidinyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine dihydrochloride
CID 72919789
N-{[1-(2-methoxyethyl)piperidin-3-yl]methyl}-N,1,3-trimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72921921
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N,1,3-trimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72927570

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-propoxyethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-(2-propoxyethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72845845) is 1,3-dimethyl-N-(2-propoxyethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-(2-propoxyethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-(2-propoxyethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine is CCCOCCNc1nc2c(s1)c(C)nn2C.
What is the InChIKey of 1,3-dimethyl-N-(2-propoxyethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is MFHGMUGUUDRKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-4-6-16-7-5-12-11-13-10-9(17-11)8(2)14-15(10)3/h4-7H2,1-3H3,(H,12,13).
What are the key properties of 1,3-dimethyl-N-(2-propoxyethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-(2-propoxyethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 254.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-propoxyethyl)pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72845845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).