4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-1H-1,8-naphthyridin-2-one;methane

C63H48Cl3N15O2S3 — CID 160725626

IUPAC4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-1H-1,8-naphthyridin-2-one;methane
SMILESC.Cc1ccc(-c2nc(-c3ccnc4[nH]c(=O)ccc34)sc2-c2ncc[nH]2)c(Cl)c1.Cc1ccc(-c2nc(-c3ccnc4[nH]ccc34)sc2-c2ncc[nH]2)c(Cl)c1.Cc1ccc(-c2nc(-c3ccnc4c3CCC(=O)N4)sc2-c2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C21H16ClN5OS.C21H14ClN5OS.C20H14ClN5S.CH4/c2*1-11-2-3-14(15(22)10-11)17-18(20-24-8-9-25-20)29-21(27-17)13-6-7-23-19-12(13)4-5-16(28)26-19;1-11-2-3-14(15(21)10-11)16-17(19-24-8-9-25-19)27-20(26-16)13-5-7-23-18-12(13)4-6-22-18;/h2-3,6-10H,4-5H2,1H3,(H,24,25)(H,23,26,28);2-10H,1H3,(H,24,25)(H,23,26,28);2-10H,1H3,(H,22,23)(H,24,25);1H4
InChIKeyRTRBAYMPNQQGII-UHFFFAOYSA-N
MW1249.74 g/mol
LogP16.52
Rot. Bonds9

About 4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-1H-1,8-naphthyridin-2-one;methane

4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-1H-1,8-naphthyridin-2-one;methane (PubChem CID 160725626) has the molecular formula C63H48Cl3N15O2S3 and a molecular weight of 1249.74 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-1H-1,8-naphthyridin-2-one;methane.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-1H-1,8-naphthyridin-2-one;methane
PubChem CID160725626
Molecular FormulaC63H48Cl3N15O2S3
Molecular Weight1249.74 g/mol
Exact Mass1247.23
IUPAC Name4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-1H-1,8-naphthyridin-2-one;methane
SMILESC.Cc1ccc(-c2nc(-c3ccnc4[nH]c(=O)ccc34)sc2-c2ncc[nH]2)c(Cl)c1.Cc1ccc(-c2nc(-c3ccnc4[nH]ccc34)sc2-c2ncc[nH]2)c(Cl)c1.Cc1ccc(-c2nc(-c3ccnc4c3CCC(=O)N4)sc2-c2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C21H16ClN5OS.C21H14ClN5OS.C20H14ClN5S.CH4/c2*1-11-2-3-14(15(22)10-11)17-18(20-24-8-9-25-20)29-21(27-17)13-6-7-23-19-12(13)4-5-16(28)26-19;1-11-2-3-14(15(21)10-11)16-17(19-24-8-9-25-19)27-20(26-16)13-5-7-23-18-12(13)4-6-22-18;/h2-3,6-10H,4-5H2,1H3,(H,24,25)(H,23,26,28);2-10H,1H3,(H,24,25)(H,23,26,28);2-10H,1H3,(H,22,23)(H,24,25);1H4
InChIKeyRTRBAYMPNQQGII-UHFFFAOYSA-N
XLogP16.52
TPSA241.13 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001249.74
LogP ≤ 516.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-1H-1,8-naphthyridin-2-one;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-1H-1,8-naphthyridin-2-one;methane?
The IUPAC name of 4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-1H-1,8-naphthyridin-2-one;methane (CID 160725626) is 4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-1H-1,8-naphthyridin-2-one;methane.
What is the SMILES notation for 4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-1H-1,8-naphthyridin-2-one;methane?
The canonical SMILES for 4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-1H-1,8-naphthyridin-2-one;methane is C.Cc1ccc(-c2nc(-c3ccnc4[nH]c(=O)ccc34)sc2-c2ncc[nH]2)c(Cl)c1.Cc1ccc(-c2nc(-c3ccnc4[nH]ccc34)sc2-c2ncc[nH]2)c(Cl)c1.Cc1ccc(-c2nc(-c3ccnc4c3CCC(=O)N4)sc2-c2ncc[nH]2)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-1H-1,8-naphthyridin-2-one;methane?
The InChIKey is RTRBAYMPNQQGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5OS.C21H14ClN5OS.C20H14ClN5S.CH4/c2*1-11-2-3-14(15(22)10-11)17-18(20-24-8-9-25-20)29-21(27-17)13-6-7-23-19-12(13)4-5-16(28)26-19;1-11-2-3-14(15(21)10-11)16-17(19-24-8-9-25-19)27-20(26-16)13-5-7-23-18-12(13)4-6-22-18;/h2-3,6-10H,4-5H2,1H3,(H,24,25)(H,23,26,28);2-10H,1H3,(H,24,25)(H,23,26,28);2-10H,1H3,(H,22,23)(H,24,25);1H4.
What are the key properties of 4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-1H-1,8-naphthyridin-2-one;methane?
4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-1H-1,8-naphthyridin-2-one;methane has a molecular weight of 1249.74 g/mol, XLogP of 16.52, 9 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[4-(2-chloro-4-methylphenyl)-5-(1H-imidazol-2-yl)-1,3-thiazol-2-yl]-1H-1,8-naphthyridin-2-one;methane is sourced from PubChem (CID 160725626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).