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

C18H14BrClN4OS — CID 57490490

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

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

N-(2-bromo-4-methoxyphenyl)-4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine (PubChem CID 57490490) has the molecular formula C18H14BrClN4OS and a molecular weight of 449.76 g/mol. Its IUPAC name is N-(2-bromo-4-methoxyphenyl)-4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-methoxyphenyl)-4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
PubChem CID57490490
Molecular FormulaC18H14BrClN4OS
Molecular Weight449.76 g/mol
Exact Mass447.98
IUPAC NameN-(2-bromo-4-methoxyphenyl)-4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3c(C)nc4ccc(Cl)cn34)cs2)c(Br)c1
InChIInChI=1S/C18H14BrClN4OS/c1-10-17(24-8-11(20)3-6-16(24)21-10)15-9-26-18(23-15)22-14-5-4-12(25-2)7-13(14)19/h3-9H,1-2H3,(H,22,23)
InChIKeyBUZFDQWHFJJMIQ-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 N-(2-bromo-4-methoxyphenyl)-4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-bromo-4-methoxyphenyl)-4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine (CID 57490490) is N-(2-bromo-4-methoxyphenyl)-4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-bromo-4-methoxyphenyl)-4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-bromo-4-methoxyphenyl)-4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3c(C)nc4ccc(Cl)cn34)cs2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methoxyphenyl)-4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is BUZFDQWHFJJMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN4OS/c1-10-17(24-8-11(20)3-6-16(24)21-10)15-9-26-18(23-15)22-14-5-4-12(25-2)7-13(14)19/h3-9H,1-2H3,(H,22,23).
What are the key properties of N-(2-bromo-4-methoxyphenyl)-4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
N-(2-bromo-4-methoxyphenyl)-4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-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 N-(2-bromo-4-methoxyphenyl)-4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 57490490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).