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

C16H16N6S — CID 58364845

IUPACN-[6-ethyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCCc1cn2c(C3=CCN=C3)cnc2c(Nc2cc(C)ns2)n1
InChIInChI=1S/C16H16N6S/c1-3-12-9-22-13(11-4-5-17-7-11)8-18-16(22)15(19-12)20-14-6-10(2)21-23-14/h4,6-9H,3,5H2,1-2H3,(H,19,20)
InChIKeyUAMOVVPOYOYOKN-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.27
Rot. Bonds4

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

N-[6-ethyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 58364845) has the molecular formula C16H16N6S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[6-ethyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[6-ethyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID58364845
Molecular FormulaC16H16N6S
Molecular Weight324.41 g/mol
Exact Mass324.12
IUPAC NameN-[6-ethyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCCc1cn2c(C3=CCN=C3)cnc2c(Nc2cc(C)ns2)n1
InChIInChI=1S/C16H16N6S/c1-3-12-9-22-13(11-4-5-17-7-11)8-18-16(22)15(19-12)20-14-6-10(2)21-23-14/h4,6-9H,3,5H2,1-2H3,(H,19,20)
InChIKeyUAMOVVPOYOYOKN-UHFFFAOYSA-N
XLogP3.27
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-ethyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The IUPAC name of N-[6-ethyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (CID 58364845) is N-[6-ethyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.
What is the SMILES notation for N-[6-ethyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The canonical SMILES for N-[6-ethyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is CCc1cn2c(C3=CCN=C3)cnc2c(Nc2cc(C)ns2)n1.
What is the InChIKey of N-[6-ethyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is UAMOVVPOYOYOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6S/c1-3-12-9-22-13(11-4-5-17-7-11)8-18-16(22)15(19-12)20-14-6-10(2)21-23-14/h4,6-9H,3,5H2,1-2H3,(H,19,20).
What are the key properties of N-[6-ethyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
N-[6-ethyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 324.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-ethyl-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 58364845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).