3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;3,4,5-trimethoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide

C95H90N18O13S3 — CID 161433671

IUPAC3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;3,4,5-trimethoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccccc2-c2nc3ncccc3o2)c1.COc1cc(C(=O)Nc2ccccc2-c2cn3cc(CN4CCNCC4)sc3n2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccccc2-c2nc3ncccc3o2)cc(OC)c1OC.Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1
InChIInChI=1S/C26H24N6O2S2.C26H29N5O4S.C22H19N3O5.C21H18N4O2/c1-17-23(36-25(28-17)18-5-4-8-27-13-18)24(33)29-21-7-3-2-6-20(21)22-15-32-19(16-35-26(32)30-22)14-31-9-11-34-12-10-31;1-33-22-12-17(13-23(34-2)24(22)35-3)25(32)28-20-7-5-4-6-19(20)21-16-31-15-18(36-26(31)29-21)14-30-10-8-27-9-11-30;1-27-17-11-13(12-18(28-2)19(17)29-3)21(26)24-15-8-5-4-7-14(15)22-25-20-16(30-22)9-6-10-23-20;1-25(2)15-8-5-7-14(13-15)20(26)23-17-10-4-3-9-16(17)21-24-19-18(27-21)11-6-12-22-19/h2-8,13,15-16H,9-12,14H2,1H3,(H,29,33);4-7,12-13,15-16,27H,8-11,14H2,1-3H3,(H,28,32);4-12H,1-3H3,(H,24,26);3-13H,1-2H3,(H,23,26)
InChIKeyVYIWEOKTRZTPAB-UHFFFAOYSA-N
MW1788.08 g/mol
LogP17.10
Rot. Bonds24

About 3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;3,4,5-trimethoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide

3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;3,4,5-trimethoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (PubChem CID 161433671) has the molecular formula C95H90N18O13S3 and a molecular weight of 1788.08 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;3,4,5-trimethoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;3,4,5-trimethoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
PubChem CID161433671
Molecular FormulaC95H90N18O13S3
Molecular Weight1788.08 g/mol
Exact Mass1786.61
IUPAC Name3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;3,4,5-trimethoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccccc2-c2nc3ncccc3o2)c1.COc1cc(C(=O)Nc2ccccc2-c2cn3cc(CN4CCNCC4)sc3n2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccccc2-c2nc3ncccc3o2)cc(OC)c1OC.Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1
InChIInChI=1S/C26H24N6O2S2.C26H29N5O4S.C22H19N3O5.C21H18N4O2/c1-17-23(36-25(28-17)18-5-4-8-27-13-18)24(33)29-21-7-3-2-6-20(21)22-15-32-19(16-35-26(32)30-22)14-31-9-11-34-12-10-31;1-33-22-12-17(13-23(34-2)24(22)35-3)25(32)28-20-7-5-4-6-19(20)21-16-31-15-18(36-26(31)29-21)14-30-10-8-27-9-11-30;1-27-17-11-13(12-18(28-2)19(17)29-3)21(26)24-15-8-5-4-7-14(15)22-25-20-16(30-22)9-6-10-23-20;1-25(2)15-8-5-7-14(13-15)20(26)23-17-10-4-3-9-16(17)21-24-19-18(27-21)11-6-12-22-19/h2-8,13,15-16H,9-12,14H2,1H3,(H,29,33);4-7,12-13,15-16,27H,8-11,14H2,1-3H3,(H,28,32);4-12H,1-3H3,(H,24,26);3-13H,1-2H3,(H,23,26)
InChIKeyVYIWEOKTRZTPAB-UHFFFAOYSA-N
XLogP17.10
TPSA340.98 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001788.08
LogP ≤ 517.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;3,4,5-trimethoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;3,4,5-trimethoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;3,4,5-trimethoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (CID 161433671) is 3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;3,4,5-trimethoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;3,4,5-trimethoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;3,4,5-trimethoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is CN(C)c1cccc(C(=O)Nc2ccccc2-c2nc3ncccc3o2)c1.COc1cc(C(=O)Nc2ccccc2-c2cn3cc(CN4CCNCC4)sc3n2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccccc2-c2nc3ncccc3o2)cc(OC)c1OC.Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1.
What is the InChIKey of 3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;3,4,5-trimethoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The InChIKey is VYIWEOKTRZTPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2S2.C26H29N5O4S.C22H19N3O5.C21H18N4O2/c1-17-23(36-25(28-17)18-5-4-8-27-13-18)24(33)29-21-7-3-2-6-20(21)22-15-32-19(16-35-26(32)30-22)14-31-9-11-34-12-10-31;1-33-22-12-17(13-23(34-2)24(22)35-3)25(32)28-20-7-5-4-6-19(20)21-16-31-15-18(36-26(31)29-21)14-30-10-8-27-9-11-30;1-27-17-11-13(12-18(28-2)19(17)29-3)21(26)24-15-8-5-4-7-14(15)22-25-20-16(30-22)9-6-10-23-20;1-25(2)15-8-5-7-14(13-15)20(26)23-17-10-4-3-9-16(17)21-24-19-18(27-21)11-6-12-22-19/h2-8,13,15-16H,9-12,14H2,1H3,(H,29,33);4-7,12-13,15-16,27H,8-11,14H2,1-3H3,(H,28,32);4-12H,1-3H3,(H,24,26);3-13H,1-2H3,(H,23,26).
What are the key properties of 3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;3,4,5-trimethoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;3,4,5-trimethoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide has a molecular weight of 1788.08 g/mol, XLogP of 17.10, 24 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide;3,4,5-trimethoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is sourced from PubChem (CID 161433671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).