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

C18H21N8S+ — CID 143460964

IUPACN-[3-(1-methylpyrazol-4-yl)-4H-imidazo[1,2-a]pyrazin-4-ium-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
SMILESCn1cc(C2=CN=C3C(Nc4cc(C5CCNCC5)ns4)=NC=C[NH+]23)cn1
InChIInChI=1S/C18H20N8S/c1-25-11-13(9-22-25)15-10-21-18-17(20-6-7-26(15)18)23-16-8-14(24-27-16)12-2-4-19-5-3-12/h6-12,19H,2-5H2,1H3,(H,20,23)/p+1
InChIKeyXLJHIFICPVNHJG-UHFFFAOYSA-O
MW381.49 g/mol
LogP0.93
Rot. Bonds3

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

N-[3-(1-methylpyrazol-4-yl)-4H-imidazo[1,2-a]pyrazin-4-ium-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine (PubChem CID 143460964) has the molecular formula C18H21N8S+ and a molecular weight of 381.49 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)-4H-imidazo[1,2-a]pyrazin-4-ium-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)-4H-imidazo[1,2-a]pyrazin-4-ium-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
PubChem CID143460964
Molecular FormulaC18H21N8S+
Molecular Weight381.49 g/mol
Exact Mass381.16
IUPAC NameN-[3-(1-methylpyrazol-4-yl)-4H-imidazo[1,2-a]pyrazin-4-ium-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine
SMILESCn1cc(C2=CN=C3C(Nc4cc(C5CCNCC5)ns4)=NC=C[NH+]23)cn1
InChIInChI=1S/C18H20N8S/c1-25-11-13(9-22-25)15-10-21-18-17(20-6-7-26(15)18)23-16-8-14(24-27-16)12-2-4-19-5-3-12/h6-12,19H,2-5H2,1H3,(H,20,23)/p+1
InChIKeyXLJHIFICPVNHJG-UHFFFAOYSA-O
XLogP0.93
TPSA83.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrazol-4-yl)-4H-imidazo[1,2-a]pyrazin-4-ium-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)-4H-imidazo[1,2-a]pyrazin-4-ium-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine (CID 143460964) is N-[3-(1-methylpyrazol-4-yl)-4H-imidazo[1,2-a]pyrazin-4-ium-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[3-(1-methylpyrazol-4-yl)-4H-imidazo[1,2-a]pyrazin-4-ium-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)-4H-imidazo[1,2-a]pyrazin-4-ium-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine is Cn1cc(C2=CN=C3C(Nc4cc(C5CCNCC5)ns4)=NC=C[NH+]23)cn1.
What is the InChIKey of N-[3-(1-methylpyrazol-4-yl)-4H-imidazo[1,2-a]pyrazin-4-ium-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine?
The InChIKey is XLJHIFICPVNHJG-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20N8S/c1-25-11-13(9-22-25)15-10-21-18-17(20-6-7-26(15)18)23-16-8-14(24-27-16)12-2-4-19-5-3-12/h6-12,19H,2-5H2,1H3,(H,20,23)/p+1.
What are the key properties of N-[3-(1-methylpyrazol-4-yl)-4H-imidazo[1,2-a]pyrazin-4-ium-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine?
N-[3-(1-methylpyrazol-4-yl)-4H-imidazo[1,2-a]pyrazin-4-ium-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine has a molecular weight of 381.49 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrazol-4-yl)-4H-imidazo[1,2-a]pyrazin-4-ium-8-yl]-3-piperidin-4-yl-1,2-thiazol-5-amine is sourced from PubChem (CID 143460964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).