N-[6-(2-aminoethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine

C15H16N8S — CID 56666401

IUPACN-[6-(2-aminoethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(CCN)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C15H16N8S/c1-9-4-13(24-22-9)21-14-15-17-7-12(10-5-18-19-6-10)23(15)8-11(20-14)2-3-16/h4-8H,2-3,16H2,1H3,(H,18,19)(H,20,21)
InChIKeyXQFHODAQACCOEF-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.13
Rot. Bonds5

About N-[6-(2-aminoethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine

N-[6-(2-aminoethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 56666401) has the molecular formula C15H16N8S and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[6-(2-aminoethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[6-(2-aminoethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID56666401
Molecular FormulaC15H16N8S
Molecular Weight340.42 g/mol
Exact Mass340.12
IUPAC NameN-[6-(2-aminoethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(CCN)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C15H16N8S/c1-9-4-13(24-22-9)21-14-15-17-7-12(10-5-18-19-6-10)23(15)8-11(20-14)2-3-16/h4-8H,2-3,16H2,1H3,(H,18,19)(H,20,21)
InChIKeyXQFHODAQACCOEF-UHFFFAOYSA-N
XLogP2.13
TPSA109.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[6-(2-aminoethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (CID 56666401) is N-[6-(2-aminoethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[6-(2-aminoethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[6-(2-aminoethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is Cc1cc(Nc2nc(CCN)cn3c(-c4cn[nH]c4)cnc23)sn1.
What is the InChIKey of N-[6-(2-aminoethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is XQFHODAQACCOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8S/c1-9-4-13(24-22-9)21-14-15-17-7-12(10-5-18-19-6-10)23(15)8-11(20-14)2-3-16/h4-8H,2-3,16H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-(2-aminoethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
N-[6-(2-aminoethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 340.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminoethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 56666401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).