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

C13H18N6S — CID 72899692

IUPAC1,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NCCCn3ccnc3C)sc12
InChIInChI=1S/C13H18N6S/c1-9-11-12(18(3)17-9)16-13(20-11)15-5-4-7-19-8-6-14-10(19)2/h6,8H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyNFNQWCAYPFBLKE-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.35
Rot. Bonds5

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

1,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72899692) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is 1,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72899692
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name1,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCc1nn(C)c2nc(NCCCn3ccnc3C)sc12
InChIInChI=1S/C13H18N6S/c1-9-11-12(18(3)17-9)16-13(20-11)15-5-4-7-19-8-6-14-10(19)2/h6,8H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyNFNQWCAYPFBLKE-UHFFFAOYSA-N
XLogP2.35
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)piperidin-1-yl]-1H-pyrazolo[3,4-d][1,3]thiazole
CID 72900142
N-cyclopropyl-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72839488
1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-1H-pyrazolo[3,4-d][1,3]thiazole
CID 72914671
1,3-dimethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72843484
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72850935
1,3-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72854392
1,3-dimethyl-5-{4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}-1H-pyrazolo[3,4-d][1,3]thiazole
CID 72863137
1,3-dimethyl-N-[1-(1H-tetrazol-5-yl)ethyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72877630
1,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72912052
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72921472
N-(2-methoxyethyl)-1,3-dimethyl-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72927802
1,3-dimethyl-N-[3-(4-methyl-1H-pyrazol-1-yl)propyl]-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 72854635

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72899692) is 1,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is Cc1nn(C)c2nc(NCCCn3ccnc3C)sc12.
What is the InChIKey of 1,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is NFNQWCAYPFBLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-9-11-12(18(3)17-9)16-13(20-11)15-5-4-7-19-8-6-14-10(19)2/h6,8H,4-5,7H2,1-3H3,(H,15,16).
What are the key properties of 1,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
1,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 290.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[3-(2-methylimidazol-1-yl)propyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72899692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).