N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

C13H21N5S — CID 97271699

IUPACN-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NC[C@]3(C)CCN(C)C3)sc12
InChIInChI=1S/C13H21N5S/c1-9-10-11(18(4)16-9)15-12(19-10)14-7-13(2)5-6-17(3)8-13/h5-8H2,1-4H3,(H,14,15)/t13-/m0/s1
InChIKeyOVASUPTXBYUKBO-ZDUSSCGKSA-N
MW279.41 g/mol
LogP2.09
Rot. Bonds3

About N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine

N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 97271699) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID97271699
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC NameN-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NC[C@]3(C)CCN(C)C3)sc12
InChIInChI=1S/C13H21N5S/c1-9-10-11(18(4)16-9)15-12(19-10)14-7-13(2)5-6-17(3)8-13/h5-8H2,1-4H3,(H,14,15)/t13-/m0/s1
InChIKeyOVASUPTXBYUKBO-ZDUSSCGKSA-N
XLogP2.09
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine (CID 97271699) is N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(NC[C@]3(C)CCN(C)C3)sc12.
What is the InChIKey of N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is OVASUPTXBYUKBO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21N5S/c1-9-10-11(18(4)16-9)15-12(19-10)14-7-13(2)5-6-17(3)8-13/h5-8H2,1-4H3,(H,14,15)/t13-/m0/s1.
What are the key properties of N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine?
N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 279.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 97271699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).