1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C14H20N6S — CID 97437456

IUPAC1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N[C@H](c3nccn3C)C(C)C)sc12
InChIInChI=1S/C14H20N6S/c1-8(2)10(12-15-6-7-19(12)4)16-14-17-13-11(21-14)9(3)18-20(13)5/h6-8,10H,1-5H3,(H,16,17)/t10-/m0/s1
InChIKeyIBDSPUXYUGZYIB-JTQLQIEISA-N
MW304.42 g/mol
LogP2.88
Rot. Bonds4

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

1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 97437456) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID97437456
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N[C@H](c3nccn3C)C(C)C)sc12
InChIInChI=1S/C14H20N6S/c1-8(2)10(12-15-6-7-19(12)4)16-14-17-13-11(21-14)9(3)18-20(13)5/h6-8,10H,1-5H3,(H,16,17)/t10-/m0/s1
InChIKeyIBDSPUXYUGZYIB-JTQLQIEISA-N
XLogP2.88
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.88
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-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 97437456) is 1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(N[C@H](c3nccn3C)C(C)C)sc12.
What is the InChIKey of 1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is IBDSPUXYUGZYIB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N6S/c1-8(2)10(12-15-6-7-19(12)4)16-14-17-13-11(21-14)9(3)18-20(13)5/h6-8,10H,1-5H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 304.42 g/mol, XLogP of 2.88, 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-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 97437456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).