N-(2-ethyl-6,8-dimethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C21H21FN4S — CID 155469556

IUPACN-(2-ethyl-6,8-dimethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2c(C)cc(C)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C21H21FN4S/c1-5-17-20(26-11-13(2)10-14(3)19(26)23-17)25(4)21-24-18(12-27-21)15-6-8-16(22)9-7-15/h6-12H,5H2,1-4H3
InChIKeyCYGVAATYIKZECN-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.54
Rot. Bonds4

About N-(2-ethyl-6,8-dimethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

N-(2-ethyl-6,8-dimethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 155469556) has the molecular formula C21H21FN4S and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(2-ethyl-6,8-dimethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethyl-6,8-dimethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID155469556
Molecular FormulaC21H21FN4S
Molecular Weight380.49 g/mol
Exact Mass380.15
IUPAC NameN-(2-ethyl-6,8-dimethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2c(C)cc(C)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C21H21FN4S/c1-5-17-20(26-11-13(2)10-14(3)19(26)23-17)25(4)21-24-18(12-27-21)15-6-8-16(22)9-7-15/h6-12H,5H2,1-4H3
InChIKeyCYGVAATYIKZECN-UHFFFAOYSA-N
XLogP5.54
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6,8-dimethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethyl-6,8-dimethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 155469556) is N-(2-ethyl-6,8-dimethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethyl-6,8-dimethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethyl-6,8-dimethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2c(C)cc(C)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-(2-ethyl-6,8-dimethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is CYGVAATYIKZECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4S/c1-5-17-20(26-11-13(2)10-14(3)19(26)23-17)25(4)21-24-18(12-27-21)15-6-8-16(22)9-7-15/h6-12H,5H2,1-4H3.
What are the key properties of N-(2-ethyl-6,8-dimethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
N-(2-ethyl-6,8-dimethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 380.49 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6,8-dimethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 155469556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).