3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide;methane;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide

C100H113N17O12S2 — CID 158420720

IUPAC3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide;methane;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESC.C.C.C.CN(C)c1cccc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)c1.COc1cc(C(=O)Nc2ccccc2-c2cn3cc(CN4CCNCC4)sc3n2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)cc(OC)c1OC.COc1ccc(C(=O)Nc2ccccc2-c2cn3cc(CN4CCNCC4)sc3n2)cc1OC
InChIInChI=1S/C26H29N5O4S.C25H27N5O3S.C23H21N3O4.C22H20N4O.4CH4/c1-33-22-12-17(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;1-32-22-8-7-17(13-23(22)33-2)24(31)27-20-6-4-3-5-19(20)21-16-30-15-18(34-25(30)28-21)14-29-11-9-26-10-12-29;1-28-19-12-15(13-20(29-2)22(19)30-3)23(27)25-17-9-5-4-8-16(17)18-14-26-11-7-6-10-21(26)24-18;1-25(2)17-9-7-8-16(14-17)22(27)24-19-11-4-3-10-18(19)20-15-26-13-6-5-12-21(26)23-20;;;;/h4-7,12-13,15-16,27H,8-11,14H2,1-3H3,(H,28,32);3-8,13,15-16,26H,9-12,14H2,1-2H3,(H,27,31);4-14H,1-3H3,(H,25,27);3-15H,1-2H3,(H,24,27);4*1H4
InChIKeyHALNCMGFGHKTMB-UHFFFAOYSA-N
MW1809.24 g/mol
LogP18.63
Rot. Bonds25

About 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide;methane;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide

3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide;methane;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (PubChem CID 158420720) has the molecular formula C100H113N17O12S2 and a molecular weight of 1809.24 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide;methane;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide;methane;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
PubChem CID158420720
Molecular FormulaC100H113N17O12S2
Molecular Weight1809.24 g/mol
Exact Mass1807.82
IUPAC Name3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide;methane;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESC.C.C.C.CN(C)c1cccc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)c1.COc1cc(C(=O)Nc2ccccc2-c2cn3cc(CN4CCNCC4)sc3n2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)cc(OC)c1OC.COc1ccc(C(=O)Nc2ccccc2-c2cn3cc(CN4CCNCC4)sc3n2)cc1OC
InChIInChI=1S/C26H29N5O4S.C25H27N5O3S.C23H21N3O4.C22H20N4O.4CH4/c1-33-22-12-17(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;1-32-22-8-7-17(13-23(22)33-2)24(31)27-20-6-4-3-5-19(20)21-16-30-15-18(34-25(30)28-21)14-29-11-9-26-10-12-29;1-28-19-12-15(13-20(29-2)22(19)30-3)23(27)25-17-9-5-4-8-16(17)18-14-26-11-7-6-10-21(26)24-18;1-25(2)17-9-7-8-16(14-17)22(27)24-19-11-4-3-10-18(19)20-15-26-13-6-5-12-21(26)23-20;;;;/h4-7,12-13,15-16,27H,8-11,14H2,1-3H3,(H,28,32);3-8,13,15-16,26H,9-12,14H2,1-2H3,(H,27,31);4-14H,1-3H3,(H,25,27);3-15H,1-2H3,(H,24,27);4*1H4
InChIKeyHALNCMGFGHKTMB-UHFFFAOYSA-N
XLogP18.63
TPSA293.22 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001809.24
LogP ≤ 518.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide;methane;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 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide;methane;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 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide;methane;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (CID 158420720) is 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide;methane;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 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide;methane;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 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide;methane;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is C.C.C.C.CN(C)c1cccc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)c1.COc1cc(C(=O)Nc2ccccc2-c2cn3cc(CN4CCNCC4)sc3n2)cc(OC)c1OC.COc1cc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)cc(OC)c1OC.COc1ccc(C(=O)Nc2ccccc2-c2cn3cc(CN4CCNCC4)sc3n2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide;methane;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The InChIKey is HALNCMGFGHKTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4S.C25H27N5O3S.C23H21N3O4.C22H20N4O.4CH4/c1-33-22-12-17(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;1-32-22-8-7-17(13-23(22)33-2)24(31)27-20-6-4-3-5-19(20)21-16-30-15-18(34-25(30)28-21)14-29-11-9-26-10-12-29;1-28-19-12-15(13-20(29-2)22(19)30-3)23(27)25-17-9-5-4-8-16(17)18-14-26-11-7-6-10-21(26)24-18;1-25(2)17-9-7-8-16(14-17)22(27)24-19-11-4-3-10-18(19)20-15-26-13-6-5-12-21(26)23-20;;;;/h4-7,12-13,15-16,27H,8-11,14H2,1-3H3,(H,28,32);3-8,13,15-16,26H,9-12,14H2,1-2H3,(H,27,31);4-14H,1-3H3,(H,25,27);3-15H,1-2H3,(H,24,27);4*1H4.
What are the key properties of 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide;methane;3,4,5-trimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide;methane;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 1809.24 g/mol, XLogP of 18.63, 25 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide;methane;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 158420720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).