4-(4-chlorophenyl)-N-[[6-(2,5-dihydro-1H-pyrrol-3-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazol-2-amine

C23H22ClN5S — CID 142772364

IUPAC4-(4-chlorophenyl)-N-[[6-(2,5-dihydro-1H-pyrrol-3-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3=CCNC3)cn2c1CNc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C23H22ClN5S/c1-2-19-21(29-13-17(5-8-22(29)27-19)16-9-10-25-11-16)12-26-23-28-20(14-30-23)15-3-6-18(24)7-4-15/h3-9,13-14,25H,2,10-12H2,1H3,(H,26,28)
InChIKeyZBFXXBLFWBDDBI-UHFFFAOYSA-N
MW435.98 g/mol
LogP5.27
Rot. Bonds6

About 4-(4-chlorophenyl)-N-[[6-(2,5-dihydro-1H-pyrrol-3-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-[[6-(2,5-dihydro-1H-pyrrol-3-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 142772364) has the molecular formula C23H22ClN5S and a molecular weight of 435.98 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[[6-(2,5-dihydro-1H-pyrrol-3-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[[6-(2,5-dihydro-1H-pyrrol-3-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazol-2-amine
PubChem CID142772364
Molecular FormulaC23H22ClN5S
Molecular Weight435.98 g/mol
Exact Mass435.13
IUPAC Name4-(4-chlorophenyl)-N-[[6-(2,5-dihydro-1H-pyrrol-3-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3=CCNC3)cn2c1CNc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C23H22ClN5S/c1-2-19-21(29-13-17(5-8-22(29)27-19)16-9-10-25-11-16)12-26-23-28-20(14-30-23)15-3-6-18(24)7-4-15/h3-9,13-14,25H,2,10-12H2,1H3,(H,26,28)
InChIKeyZBFXXBLFWBDDBI-UHFFFAOYSA-N
XLogP5.27
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.98
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-chlorophenyl)-N-[[6-(2,5-dihydro-1H-pyrrol-3-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-[[2-ethyl-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 142772360
5-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]-N-methyl-1,3-thiazol-2-amine
CID 25001418
N-[(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)methyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]aniline
CID 71009928
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-b]pyridazin-3-amine
CID 140869449
N-[6-bromo-2-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-3-yl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 90446842
N-[6-[1-(chloromethylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 90446878
N-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 55027194
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]acetic acid
CID 82134209
4-(4-chlorophenyl)-N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methyl-1,3-thiazol-2-amine
CID 78427517
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
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CID 130274142

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[[6-(2,5-dihydro-1H-pyrrol-3-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[[6-(2,5-dihydro-1H-pyrrol-3-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazol-2-amine (CID 142772364) is 4-(4-chlorophenyl)-N-[[6-(2,5-dihydro-1H-pyrrol-3-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[[6-(2,5-dihydro-1H-pyrrol-3-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[[6-(2,5-dihydro-1H-pyrrol-3-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazol-2-amine is CCc1nc2ccc(C3=CCNC3)cn2c1CNc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[[6-(2,5-dihydro-1H-pyrrol-3-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is ZBFXXBLFWBDDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5S/c1-2-19-21(29-13-17(5-8-22(29)27-19)16-9-10-25-11-16)12-26-23-28-20(14-30-23)15-3-6-18(24)7-4-15/h3-9,13-14,25H,2,10-12H2,1H3,(H,26,28).
What are the key properties of 4-(4-chlorophenyl)-N-[[6-(2,5-dihydro-1H-pyrrol-3-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[[6-(2,5-dihydro-1H-pyrrol-3-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 435.98 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[[6-(2,5-dihydro-1H-pyrrol-3-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 142772364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).