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

C16H17N7S — CID 11566279

IUPACN-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine
SMILESCC(C)c1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)sn1
InChIInChI=1S/C16H17N7S/c1-10(2)12-6-14(24-21-12)20-15-16-18-8-13(23(16)5-4-17-15)11-7-19-22(3)9-11/h4-10H,1-3H3,(H,17,20)
InChIKeyWKBCIZTZDKGBEO-UHFFFAOYSA-N
MW339.43 g/mol
LogP3.45
Rot. Bonds4

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

N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine (PubChem CID 11566279) has the molecular formula C16H17N7S and a molecular weight of 339.43 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine
PubChem CID11566279
Molecular FormulaC16H17N7S
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC NameN-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine
SMILESCC(C)c1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)sn1
InChIInChI=1S/C16H17N7S/c1-10(2)12-6-14(24-21-12)20-15-16-18-8-13(23(16)5-4-17-15)11-7-19-22(3)9-11/h4-10H,1-3H3,(H,17,20)
InChIKeyWKBCIZTZDKGBEO-UHFFFAOYSA-N
XLogP3.45
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine (CID 11566279) is N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine is CC(C)c1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)sn1.
What is the InChIKey of N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine?
The InChIKey is WKBCIZTZDKGBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7S/c1-10(2)12-6-14(24-21-12)20-15-16-18-8-13(23(16)5-4-17-15)11-7-19-22(3)9-11/h4-10H,1-3H3,(H,17,20).
What are the key properties of N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine?
N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine has a molecular weight of 339.43 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-propan-2-yl-1,2-thiazol-5-amine is sourced from PubChem (CID 11566279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).