1,3-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C13H18N6S — CID 72890978

IUPAC1,3-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NCc3cnn(C(C)C)c3)sc12
InChIInChI=1S/C13H18N6S/c1-8(2)19-7-10(6-15-19)5-14-13-16-12-11(20-13)9(3)17-18(12)4/h6-8H,5H2,1-4H3,(H,14,16)
InChIKeyQGCWNADATNVVNU-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.73
Rot. Bonds4

About 1,3-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

1,3-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72890978) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72890978
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name1,3-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NCc3cnn(C(C)C)c3)sc12
InChIInChI=1S/C13H18N6S/c1-8(2)19-7-10(6-15-19)5-14-13-16-12-11(20-13)9(3)17-18(12)4/h6-8H,5H2,1-4H3,(H,14,16)
InChIKeyQGCWNADATNVVNU-UHFFFAOYSA-N
XLogP2.73
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72890978) is 1,3-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(NCc3cnn(C(C)C)c3)sc12.
What is the InChIKey of 1,3-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is QGCWNADATNVVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-8(2)19-7-10(6-15-19)5-14-13-16-12-11(20-13)9(3)17-18(12)4/h6-8H,5H2,1-4H3,(H,14,16).
What are the key properties of 1,3-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 290.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72890978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).