4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine

C18H14BrClN4OS — CID 44603134

IUPAC4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3c(C)nc4ccc(Br)cn34)cs2)cc1Cl
InChIInChI=1S/C18H14BrClN4OS/c1-10-17(24-8-11(19)3-6-16(24)21-10)14-9-26-18(23-14)22-12-4-5-15(25-2)13(20)7-12/h3-9H,1-2H3,(H,22,23)
InChIKeySDTDWEUSBLJDPJ-UHFFFAOYSA-N
MW449.76 g/mol
LogP5.93
Rot. Bonds4

About 4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine

4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 44603134) has the molecular formula C18H14BrClN4OS and a molecular weight of 449.76 g/mol. Its IUPAC name is 4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID44603134
Molecular FormulaC18H14BrClN4OS
Molecular Weight449.76 g/mol
Exact Mass447.98
IUPAC Name4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3c(C)nc4ccc(Br)cn34)cs2)cc1Cl
InChIInChI=1S/C18H14BrClN4OS/c1-10-17(24-8-11(19)3-6-16(24)21-10)14-9-26-18(23-14)22-12-4-5-15(25-2)13(20)7-12/h3-9H,1-2H3,(H,22,23)
InChIKeySDTDWEUSBLJDPJ-UHFFFAOYSA-N
XLogP5.93
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.76
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine (CID 44603134) is 4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3c(C)nc4ccc(Br)cn34)cs2)cc1Cl.
What is the InChIKey of 4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is SDTDWEUSBLJDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN4OS/c1-10-17(24-8-11(19)3-6-16(24)21-10)14-9-26-18(23-14)22-12-4-5-15(25-2)13(20)7-12/h3-9H,1-2H3,(H,22,23).
What are the key properties of 4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine?
4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 449.76 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 44603134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).