N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

C10H13N7S2 — CID 97453235

IUPACN-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N[C@@H](C)c3nnc(N)s3)sc12
InChIInChI=1S/C10H13N7S2/c1-4-6-7(17(3)16-4)13-10(18-6)12-5(2)8-14-15-9(11)19-8/h5H,1-3H3,(H2,11,15)(H,12,13)/t5-/m0/s1
InChIKeyFPYOAKWCRSNXQO-YFKPBYRVSA-N
MW295.40 g/mol
LogP1.95
Rot. Bonds3

About N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 97453235) has the molecular formula C10H13N7S2 and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID97453235
Molecular FormulaC10H13N7S2
Molecular Weight295.40 g/mol
Exact Mass295.07
IUPAC NameN-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N[C@@H](C)c3nnc(N)s3)sc12
InChIInChI=1S/C10H13N7S2/c1-4-6-7(17(3)16-4)13-10(18-6)12-5(2)8-14-15-9(11)19-8/h5H,1-3H3,(H2,11,15)(H,12,13)/t5-/m0/s1
InChIKeyFPYOAKWCRSNXQO-YFKPBYRVSA-N
XLogP1.95
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1,3-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72877150
1,3-dimethyl-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97270175
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72847158
1,3-dimethyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97270342
1,3-dimethyl-N-[1-(6-methyl-2-pyridinyl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72897622
1,3-dimethyl-N-[(1R)-1-(5-methyl-2-pyridinyl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97453339
1,3-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72890978
N-[5-[2-(diethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72872217
(5S)-5-[[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]methyl]pyrrolidin-2-one
CID 97285582
[(2S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidin-2-yl]methanol
CID 97281554
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide
CID 91787907
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97272009

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (CID 97453235) is N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(N[C@@H](C)c3nnc(N)s3)sc12.
What is the InChIKey of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is FPYOAKWCRSNXQO-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H13N7S2/c1-4-6-7(17(3)16-4)13-10(18-6)12-5(2)8-14-15-9(11)19-8/h5H,1-3H3,(H2,11,15)(H,12,13)/t5-/m0/s1.
What are the key properties of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 295.40 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 97453235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).