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

C17H11BrClFN4S — CID 57490455

IUPACN-(4-bromo-2-chlorophenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc2ccc(F)cn2c1-c1csc(Nc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C17H11BrClFN4S/c1-9-16(24-7-11(20)3-5-15(24)21-9)14-8-25-17(23-14)22-13-4-2-10(18)6-12(13)19/h2-8H,1H3,(H,22,23)
InChIKeyLNZFCKCMLBYQPR-UHFFFAOYSA-N
MW437.73 g/mol
LogP6.06
Rot. Bonds3

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

N-(4-bromo-2-chlorophenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine (PubChem CID 57490455) has the molecular formula C17H11BrClFN4S and a molecular weight of 437.73 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
PubChem CID57490455
Molecular FormulaC17H11BrClFN4S
Molecular Weight437.73 g/mol
Exact Mass435.96
IUPAC NameN-(4-bromo-2-chlorophenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc2ccc(F)cn2c1-c1csc(Nc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C17H11BrClFN4S/c1-9-16(24-7-11(20)3-5-15(24)21-9)14-8-25-17(23-14)22-13-4-2-10(18)6-12(13)19/h2-8H,1H3,(H,22,23)
InChIKeyLNZFCKCMLBYQPR-UHFFFAOYSA-N
XLogP6.06
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.73
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine (CID 57490455) is N-(4-bromo-2-chlorophenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine is Cc1nc2ccc(F)cn2c1-c1csc(Nc2ccc(Br)cc2Cl)n1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is LNZFCKCMLBYQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrClFN4S/c1-9-16(24-7-11(20)3-5-15(24)21-9)14-8-25-17(23-14)22-13-4-2-10(18)6-12(13)19/h2-8H,1H3,(H,22,23).
What are the key properties of N-(4-bromo-2-chlorophenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine?
N-(4-bromo-2-chlorophenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 437.73 g/mol, XLogP of 6.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-4-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 57490455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).