(4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine

C14H23N5S — CID 97437728

IUPAC(4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine
SMILESCc1nn(C)c2nc(N3CCC[C@@H](N(C)C)CC3)sc12
InChIInChI=1S/C14H23N5S/c1-10-12-13(18(4)16-10)15-14(20-12)19-8-5-6-11(7-9-19)17(2)3/h11H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyRCOUZBKFGLEPOY-LLVKDONJSA-N
MW293.44 g/mol
LogP2.26
Rot. Bonds2

About (4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine

(4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine (PubChem CID 97437728) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is (4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine.

Molecular Properties

Compound Name(4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine
PubChem CID97437728
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC Name(4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine
SMILESCc1nn(C)c2nc(N3CCC[C@@H](N(C)C)CC3)sc12
InChIInChI=1S/C14H23N5S/c1-10-12-13(18(4)16-10)15-14(20-12)19-8-5-6-11(7-9-19)17(2)3/h11H,5-9H2,1-4H3/t11-/m1/s1
InChIKeyRCOUZBKFGLEPOY-LLVKDONJSA-N
XLogP2.26
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine?
The IUPAC name of (4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine (CID 97437728) is (4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine.
What is the SMILES notation for (4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine?
The canonical SMILES for (4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine is Cc1nn(C)c2nc(N3CCC[C@@H](N(C)C)CC3)sc12.
What is the InChIKey of (4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine?
The InChIKey is RCOUZBKFGLEPOY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N5S/c1-10-12-13(18(4)16-10)15-14(20-12)19-8-5-6-11(7-9-19)17(2)3/h11H,5-9H2,1-4H3/t11-/m1/s1.
What are the key properties of (4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine?
(4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine has a molecular weight of 293.44 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine is sourced from PubChem (CID 97437728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).