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

C14H11BrN6S — CID 58364913

IUPACN-[6-bromo-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(Br)cn3c(C4=CCN=C4)cnc23)sn1
InChIInChI=1S/C14H11BrN6S/c1-8-4-12(22-20-8)19-13-14-17-6-10(9-2-3-16-5-9)21(14)7-11(15)18-13/h2,4-7H,3H2,1H3,(H,18,19)
InChIKeyCQXCJCNPFMJKCC-UHFFFAOYSA-N
MW375.26 g/mol
LogP3.47
Rot. Bonds3

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

N-[6-bromo-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (PubChem CID 58364913) has the molecular formula C14H11BrN6S and a molecular weight of 375.26 g/mol. Its IUPAC name is N-[6-bromo-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine.

Molecular Properties

Compound NameN-[6-bromo-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
PubChem CID58364913
Molecular FormulaC14H11BrN6S
Molecular Weight375.26 g/mol
Exact Mass373.99
IUPAC NameN-[6-bromo-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(Br)cn3c(C4=CCN=C4)cnc23)sn1
InChIInChI=1S/C14H11BrN6S/c1-8-4-12(22-20-8)19-13-14-17-6-10(9-2-3-16-5-9)21(14)7-11(15)18-13/h2,4-7H,3H2,1H3,(H,18,19)
InChIKeyCQXCJCNPFMJKCC-UHFFFAOYSA-N
XLogP3.47
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-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-bromo-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine (CID 58364913) is N-[6-bromo-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-bromo-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-bromo-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is Cc1cc(Nc2nc(Br)cn3c(C4=CCN=C4)cnc23)sn1.
What is the InChIKey of N-[6-bromo-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
The InChIKey is CQXCJCNPFMJKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN6S/c1-8-4-12(22-20-8)19-13-14-17-6-10(9-2-3-16-5-9)21(14)7-11(15)18-13/h2,4-7H,3H2,1H3,(H,18,19).
What are the key properties of N-[6-bromo-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine?
N-[6-bromo-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine has a molecular weight of 375.26 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bromo-3-(2H-pyrrol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-3-methyl-1,2-thiazol-5-amine is sourced from PubChem (CID 58364913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).