N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C42H41BrF2N10S2 — CID 159855904

IUPACN-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(Br)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.CCc1nc2ccc(N3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C23H25FN6S.C19H16BrFN4S/c1-3-19-22(28(2)23-27-20(15-31-23)16-4-6-17(24)7-5-16)30-14-18(8-9-21(30)26-19)29-12-10-25-11-13-29;1-3-15-18(25-10-13(20)6-9-17(25)22-15)24(2)19-23-16(11-26-19)12-4-7-14(21)8-5-12/h4-9,14-15,25H,3,10-13H2,1-2H3;4-11H,3H2,1-2H3
InChIKeyNQNHAOXCZLGEQA-UHFFFAOYSA-N
MW867.89 g/mol
LogP10.03
Rot. Bonds9

About N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 159855904) has the molecular formula C42H41BrF2N10S2 and a molecular weight of 867.89 g/mol. Its IUPAC name is N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID159855904
Molecular FormulaC42H41BrF2N10S2
Molecular Weight867.89 g/mol
Exact Mass866.21
IUPAC NameN-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(Br)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.CCc1nc2ccc(N3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C23H25FN6S.C19H16BrFN4S/c1-3-19-22(28(2)23-27-20(15-31-23)16-4-6-17(24)7-5-16)30-14-18(8-9-21(30)26-19)29-12-10-25-11-13-29;1-3-15-18(25-10-13(20)6-9-17(25)22-15)24(2)19-23-16(11-26-19)12-4-7-14(21)8-5-12/h4-9,14-15,25H,3,10-13H2,1-2H3;4-11H,3H2,1-2H3
InChIKeyNQNHAOXCZLGEQA-UHFFFAOYSA-N
XLogP10.03
TPSA82.13 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500867.89
LogP ≤ 510.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 159855904) is N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(Br)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.CCc1nc2ccc(N3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is NQNHAOXCZLGEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6S.C19H16BrFN4S/c1-3-19-22(28(2)23-27-20(15-31-23)16-4-6-17(24)7-5-16)30-14-18(8-9-21(30)26-19)29-12-10-25-11-13-29;1-3-15-18(25-10-13(20)6-9-17(25)22-15)24(2)19-23-16(11-26-19)12-4-7-14(21)8-5-12/h4-9,14-15,25H,3,10-13H2,1-2H3;4-11H,3H2,1-2H3.
What are the key properties of N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 867.89 g/mol, XLogP of 10.03, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 159855904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).