N-cyclohexyl-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C17H24N6S — CID 72847469

IUPACN-cyclohexyl-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N(Cc3cnn(C)c3)C3CCCCC3)sc12
InChIInChI=1S/C17H24N6S/c1-12-15-16(22(3)20-12)19-17(24-15)23(14-7-5-4-6-8-14)11-13-9-18-21(2)10-13/h9-10,14H,4-8,11H2,1-3H3
InChIKeyHJGIDLUSGOTULP-UHFFFAOYSA-N
MW344.49 g/mol
LogP3.41
Rot. Bonds4

About N-cyclohexyl-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

N-cyclohexyl-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72847469) has the molecular formula C17H24N6S and a molecular weight of 344.49 g/mol. Its IUPAC name is N-cyclohexyl-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-cyclohexyl-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72847469
Molecular FormulaC17H24N6S
Molecular Weight344.49 g/mol
Exact Mass344.18
IUPAC NameN-cyclohexyl-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(N(Cc3cnn(C)c3)C3CCCCC3)sc12
InChIInChI=1S/C17H24N6S/c1-12-15-16(22(3)20-12)19-17(24-15)23(14-7-5-4-6-8-14)11-13-9-18-21(2)10-13/h9-10,14H,4-8,11H2,1-3H3
InChIKeyHJGIDLUSGOTULP-UHFFFAOYSA-N
XLogP3.41
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-cyclohexyl-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72847469) is N-cyclohexyl-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-cyclohexyl-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-cyclohexyl-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(N(Cc3cnn(C)c3)C3CCCCC3)sc12.
What is the InChIKey of N-cyclohexyl-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is HJGIDLUSGOTULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6S/c1-12-15-16(22(3)20-12)19-17(24-15)23(14-7-5-4-6-8-14)11-13-9-18-21(2)10-13/h9-10,14H,4-8,11H2,1-3H3.
What are the key properties of N-cyclohexyl-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
N-cyclohexyl-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 344.49 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72847469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).