3-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C16H15N7S — CID 11631425

IUPAC3-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCn1cc(-c2cnc3c(Nc4cc(C5CC5)ns4)nccn23)cn1
InChIInChI=1S/C16H15N7S/c1-22-9-11(7-19-22)13-8-18-16-15(17-4-5-23(13)16)20-14-6-12(21-24-14)10-2-3-10/h4-10H,2-3H2,1H3,(H,17,20)
InChIKeyXSVHFDWLYBHIRX-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.21
Rot. Bonds4

About 3-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

3-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 11631425) has the molecular formula C16H15N7S and a molecular weight of 337.41 g/mol. Its IUPAC name is 3-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID11631425
Molecular FormulaC16H15N7S
Molecular Weight337.41 g/mol
Exact Mass337.11
IUPAC Name3-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCn1cc(-c2cnc3c(Nc4cc(C5CC5)ns4)nccn23)cn1
InChIInChI=1S/C16H15N7S/c1-22-9-11(7-19-22)13-8-18-16-15(17-4-5-23(13)16)20-14-6-12(21-24-14)10-2-3-10/h4-10H,2-3H2,1H3,(H,17,20)
InChIKeyXSVHFDWLYBHIRX-UHFFFAOYSA-N
XLogP3.21
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 11631425) is 3-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is Cn1cc(-c2cnc3c(Nc4cc(C5CC5)ns4)nccn23)cn1.
What is the InChIKey of 3-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is XSVHFDWLYBHIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7S/c1-22-9-11(7-19-22)13-8-18-16-15(17-4-5-23(13)16)20-14-6-12(21-24-14)10-2-3-10/h4-10H,2-3H2,1H3,(H,17,20).
What are the key properties of 3-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 337.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 11631425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).