About N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide;bis(N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide);tert-butyl 2-amino-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;cyclopropanecarbonyl chloride;deuterio(fluoro)methane;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid;chloride
N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide;bis(N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide);tert-butyl 2-amino-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;cyclopropanecarbonyl chloride;deuterio(fluoro)methane;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid;chloride (PubChem CID 158382750) has the molecular formula C147H151Cl2F10N21O17S14
and a molecular weight of 3194.79 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide;bis(N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide);tert-butyl 2-amino-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;cyclopropanecarbonyl chloride;deuterio(fluoro)methane;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid;chloride.
Frequently Asked Questions
What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide;bis(N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide);tert-butyl 2-amino-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;cyclopropanecarbonyl chloride;deuterio(fluoro)methane;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid;chloride?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide;bis(N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide);tert-butyl 2-amino-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;cyclopropanecarbonyl chloride;deuterio(fluoro)methane;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid;chloride (CID 158382750) is N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide;bis(N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide);tert-butyl 2-amino-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;cyclopropanecarbonyl chloride;deuterio(fluoro)methane;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid;chloride.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide;bis(N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide);tert-butyl 2-amino-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;cyclopropanecarbonyl chloride;deuterio(fluoro)methane;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid;chloride?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide;bis(N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide);tert-butyl 2-amino-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;cyclopropanecarbonyl chloride;deuterio(fluoro)methane;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid;chloride is CC(C)(C)OC(=O)N1CCc2c(sc(N)c2-c2nc3ccccc3s2)C1.CC(C)(C)OC(=O)N1CCc2c(sc(NC(=O)C3CC3)c2-c2nc3ccccc3s2)C1.CCN1CCc2c(sc(NC(=O)C3CC3)c2-c2nc3ccccc3s2)C1.CN1CCc2c(sc(NC(=O)C3CC3)c2-c2nc3ccccc3s2)C1.C[NH+]1CCc2c(sc(NC(=O)C3CC3)c2-c2nc3ccccc3s2)C1.O=C(Cl)C1CC1.O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[NH2+]C2)C1CC1.O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[NH2+]C2)C1CC1.O=C(O)C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[2H]CF.[Cl-].
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide;bis(N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide);tert-butyl 2-amino-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;cyclopropanecarbonyl chloride;deuterio(fluoro)methane;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid;chloride?
The InChIKey is UQFKIWQMVAURSL-AUHMNWCXSA-N. The full InChI is InChI=1S/C23H25N3O3S2.C20H21N3OS2.C19H21N3O2S2.2C19H19N3OS2.2C18H17N3OS2.C4H5ClO.3C2HF3O2.CH3F.ClH/c1-23(2,3)29-22(28)26-11-10-14-17(12-26)31-21(25-19(27)13-8-9-13)18(14)20-24-15-6-4-5-7-16(15)30-20;1-2-23-10-9-13-16(11-23)26-20(22-18(24)12-7-8-12)17(13)19-21-14-5-3-4-6-15(14)25-19;1-19(2,3)24-18(23)22-9-8-11-14(10-22)25-16(20)15(11)17-21-12-6-4-5-7-13(12)26-17;2*1-22-9-8-12-15(10-22)25-19(21-17(23)11-6-7-11)16(12)18-20-13-4-2-3-5-14(13)24-18;2*22-16(10-5-6-10)21-18-15(11-7-8-19-9-14(11)24-18)17-20-12-3-1-2-4-13(12)23-17;5-4(6)3-1-2-3;3*3-2(4,5)1(6)7;1-2;/h4-7,13H,8-12H2,1-3H3,(H,25,27);3-6,12H,2,7-11H2,1H3,(H,22,24);4-7H,8-10,20H2,1-3H3;2*2-5,11H,6-10H2,1H3,(H,21,23);2*1-4,10,19H,5-9H2,(H,21,22);3H,1-2H2;3*(H,6,7);1H3;1H/i;;;;;;;;;;;1D;.
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide;bis(N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide);tert-butyl 2-amino-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;cyclopropanecarbonyl chloride;deuterio(fluoro)methane;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid;chloride?
N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide;bis(N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide);tert-butyl 2-amino-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;cyclopropanecarbonyl chloride;deuterio(fluoro)methane;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid;chloride has a molecular weight of 3194.79 g/mol, XLogP of 26.59, 21 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide;N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide;bis(N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]cyclopropanecarboxamide);tert-butyl 2-amino-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 3-(1,3-benzothiazol-2-yl)-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;cyclopropanecarbonyl chloride;deuterio(fluoro)methane;bis(2,2,2-trifluoroacetate);2,2,2-trifluoroacetic acid;chloride is sourced from PubChem (CID 158382750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).