N-(2-ethylsulfanylethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

C10H16N4S2 — CID 72898138

IUPACN-(2-ethylsulfanylethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCCSCCNc1nc2c(s1)c(C)nn2C
InChIInChI=1S/C10H16N4S2/c1-4-15-6-5-11-10-12-9-8(16-10)7(2)13-14(9)3/h4-6H2,1-3H3,(H,11,12)
InChIKeyAWRNIALPZVDHRM-UHFFFAOYSA-N
MW256.40 g/mol
LogP2.50
Rot. Bonds5

About N-(2-ethylsulfanylethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

N-(2-ethylsulfanylethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72898138) has the molecular formula C10H16N4S2 and a molecular weight of 256.40 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72898138
Molecular FormulaC10H16N4S2
Molecular Weight256.40 g/mol
Exact Mass256.08
IUPAC NameN-(2-ethylsulfanylethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCCSCCNc1nc2c(s1)c(C)nn2C
InChIInChI=1S/C10H16N4S2/c1-4-15-6-5-11-10-12-9-8(16-10)7(2)13-14(9)3/h4-6H2,1-3H3,(H,11,12)
InChIKeyAWRNIALPZVDHRM-UHFFFAOYSA-N
XLogP2.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 52.50
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
1,3-dimethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72843484
1,3-dimethyl-N-(2-propoxyethyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72845845
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72850935
N,N-bis(2-methoxyethyl)-1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72851027
1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72854392
1,3-dimethyl-N-[1-(1H-tetrazol-5-yl)ethyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72877630
N-cyclopentyl-N'-(1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 72881792
N-[(1-isobutylpyrrolidin-3-yl)methyl]-N,1,3-trimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72883385
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

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-(2-ethylsulfanylethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72898138) is N-(2-ethylsulfanylethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-(2-ethylsulfanylethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is CCSCCNc1nc2c(s1)c(C)nn2C.
What is the InChIKey of N-(2-ethylsulfanylethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is AWRNIALPZVDHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S2/c1-4-15-6-5-11-10-12-9-8(16-10)7(2)13-14(9)3/h4-6H2,1-3H3,(H,11,12).
What are the key properties of N-(2-ethylsulfanylethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
N-(2-ethylsulfanylethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 256.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72898138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).