benzo[f][1,3]benzothiazol-2-yl(phenyl)methanone;benzo[g][1,3]benzothiazol-2-yl(phenyl)methanone;[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone;[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenylmethanone;(4-methyl-1,3-thiazol-2-yl)-phenylmethanone;hydrate

C89H63N5O9S5 — CID 157138479

IUPACbenzo[f][1,3]benzothiazol-2-yl(phenyl)methanone;benzo[g][1,3]benzothiazol-2-yl(phenyl)methanone;[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone;[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenylmethanone;(4-methyl-1,3-thiazol-2-yl)-phenylmethanone;hydrate
SMILESCOc1ccc(-c2sc(C(=O)c3ccccc3)nc2-c2ccc(C)cc2)cc1.Cc1csc(C(=O)c2ccccc2)n1.O.O=C(c1ccccc1)c1nc(-c2ccco2)c(-c2ccco2)s1.O=C(c1ccccc1)c1nc2cc3ccccc3cc2s1.O=C(c1ccccc1)c1nc2ccc3ccccc3c2s1
InChIInChI=1S/C24H19NO2S.C18H11NO3S.2C18H11NOS.C11H9NOS.H2O/c1-16-8-10-17(11-9-16)21-23(19-12-14-20(27-2)15-13-19)28-24(25-21)22(26)18-6-4-3-5-7-18;20-16(12-6-2-1-3-7-12)18-19-15(13-8-4-10-21-13)17(23-18)14-9-5-11-22-14;20-16(13-7-2-1-3-8-13)18-19-15-11-10-12-6-4-5-9-14(12)17(15)21-18;20-17(12-6-2-1-3-7-12)18-19-15-10-13-8-4-5-9-14(13)11-16(15)21-18;1-8-7-14-11(12-8)10(13)9-5-3-2-4-6-9;/h3-15H,1-2H3;1-11H;2*1-11H;2-7H,1H3;1H2
InChIKeyNHDUQCRCBPBJQA-UHFFFAOYSA-N
MW1506.84 g/mol
LogP22.14
Rot. Bonds15

About benzo[f][1,3]benzothiazol-2-yl(phenyl)methanone;benzo[g][1,3]benzothiazol-2-yl(phenyl)methanone;[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone;[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenylmethanone;(4-methyl-1,3-thiazol-2-yl)-phenylmethanone;hydrate

benzo[f][1,3]benzothiazol-2-yl(phenyl)methanone;benzo[g][1,3]benzothiazol-2-yl(phenyl)methanone;[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone;[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenylmethanone;(4-methyl-1,3-thiazol-2-yl)-phenylmethanone;hydrate (PubChem CID 157138479) has the molecular formula C89H63N5O9S5 and a molecular weight of 1506.84 g/mol. Its IUPAC name is benzo[f][1,3]benzothiazol-2-yl(phenyl)methanone;benzo[g][1,3]benzothiazol-2-yl(phenyl)methanone;[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone;[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenylmethanone;(4-methyl-1,3-thiazol-2-yl)-phenylmethanone;hydrate.

Molecular Properties

Compound Namebenzo[f][1,3]benzothiazol-2-yl(phenyl)methanone;benzo[g][1,3]benzothiazol-2-yl(phenyl)methanone;[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone;[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenylmethanone;(4-methyl-1,3-thiazol-2-yl)-phenylmethanone;hydrate
PubChem CID157138479
Molecular FormulaC89H63N5O9S5
Molecular Weight1506.84 g/mol
Exact Mass1505.32
IUPAC Namebenzo[f][1,3]benzothiazol-2-yl(phenyl)methanone;benzo[g][1,3]benzothiazol-2-yl(phenyl)methanone;[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone;[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenylmethanone;(4-methyl-1,3-thiazol-2-yl)-phenylmethanone;hydrate
SMILESCOc1ccc(-c2sc(C(=O)c3ccccc3)nc2-c2ccc(C)cc2)cc1.Cc1csc(C(=O)c2ccccc2)n1.O.O=C(c1ccccc1)c1nc(-c2ccco2)c(-c2ccco2)s1.O=C(c1ccccc1)c1nc2cc3ccccc3cc2s1.O=C(c1ccccc1)c1nc2ccc3ccccc3c2s1
InChIInChI=1S/C24H19NO2S.C18H11NO3S.2C18H11NOS.C11H9NOS.H2O/c1-16-8-10-17(11-9-16)21-23(19-12-14-20(27-2)15-13-19)28-24(25-21)22(26)18-6-4-3-5-7-18;20-16(12-6-2-1-3-7-12)18-19-15(13-8-4-10-21-13)17(23-18)14-9-5-11-22-14;20-16(13-7-2-1-3-8-13)18-19-15-11-10-12-6-4-5-9-14(12)17(15)21-18;20-17(12-6-2-1-3-7-12)18-19-15-10-13-8-4-5-9-14(13)11-16(15)21-18;1-8-7-14-11(12-8)10(13)9-5-3-2-4-6-9;/h3-15H,1-2H3;1-11H;2*1-11H;2-7H,1H3;1H2
InChIKeyNHDUQCRCBPBJQA-UHFFFAOYSA-N
XLogP22.14
TPSA216.81 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001506.84
LogP ≤ 522.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze benzo[f][1,3]benzothiazol-2-yl(phenyl)methanone;benzo[g][1,3]benzothiazol-2-yl(phenyl)methanone;[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone;[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenylmethanone;(4-methyl-1,3-thiazol-2-yl)-phenylmethanone;hydrate with MolForge

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Related Compounds

[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylmethanone
CID 58659891
(6-methyl-1,3-benzothiazol-2-yl)-phenylmethanone
CID 83393015
[4-(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone
CID 55201038
N-[4-(furan-2-yl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 23144498
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
1-(furan-2-yl)-3-(4-methoxyphenyl)isoquinoline
CID 44551728
ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
CID 66524921
1-[2,3-bis(furan-2-yl)benzo[f]quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one
CID 158867523
N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7543637
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 7916686
N-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide
CID 4083468
[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 21232766

Frequently Asked Questions

What is the IUPAC name of benzo[f][1,3]benzothiazol-2-yl(phenyl)methanone;benzo[g][1,3]benzothiazol-2-yl(phenyl)methanone;[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone;[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenylmethanone;(4-methyl-1,3-thiazol-2-yl)-phenylmethanone;hydrate?
The IUPAC name of benzo[f][1,3]benzothiazol-2-yl(phenyl)methanone;benzo[g][1,3]benzothiazol-2-yl(phenyl)methanone;[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone;[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenylmethanone;(4-methyl-1,3-thiazol-2-yl)-phenylmethanone;hydrate (CID 157138479) is benzo[f][1,3]benzothiazol-2-yl(phenyl)methanone;benzo[g][1,3]benzothiazol-2-yl(phenyl)methanone;[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone;[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenylmethanone;(4-methyl-1,3-thiazol-2-yl)-phenylmethanone;hydrate.
What is the SMILES notation for benzo[f][1,3]benzothiazol-2-yl(phenyl)methanone;benzo[g][1,3]benzothiazol-2-yl(phenyl)methanone;[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone;[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenylmethanone;(4-methyl-1,3-thiazol-2-yl)-phenylmethanone;hydrate?
The canonical SMILES for benzo[f][1,3]benzothiazol-2-yl(phenyl)methanone;benzo[g][1,3]benzothiazol-2-yl(phenyl)methanone;[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone;[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenylmethanone;(4-methyl-1,3-thiazol-2-yl)-phenylmethanone;hydrate is COc1ccc(-c2sc(C(=O)c3ccccc3)nc2-c2ccc(C)cc2)cc1.Cc1csc(C(=O)c2ccccc2)n1.O.O=C(c1ccccc1)c1nc(-c2ccco2)c(-c2ccco2)s1.O=C(c1ccccc1)c1nc2cc3ccccc3cc2s1.O=C(c1ccccc1)c1nc2ccc3ccccc3c2s1.
What is the InChIKey of benzo[f][1,3]benzothiazol-2-yl(phenyl)methanone;benzo[g][1,3]benzothiazol-2-yl(phenyl)methanone;[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone;[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenylmethanone;(4-methyl-1,3-thiazol-2-yl)-phenylmethanone;hydrate?
The InChIKey is NHDUQCRCBPBJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2S.C18H11NO3S.2C18H11NOS.C11H9NOS.H2O/c1-16-8-10-17(11-9-16)21-23(19-12-14-20(27-2)15-13-19)28-24(25-21)22(26)18-6-4-3-5-7-18;20-16(12-6-2-1-3-7-12)18-19-15(13-8-4-10-21-13)17(23-18)14-9-5-11-22-14;20-16(13-7-2-1-3-8-13)18-19-15-11-10-12-6-4-5-9-14(12)17(15)21-18;20-17(12-6-2-1-3-7-12)18-19-15-10-13-8-4-5-9-14(13)11-16(15)21-18;1-8-7-14-11(12-8)10(13)9-5-3-2-4-6-9;/h3-15H,1-2H3;1-11H;2*1-11H;2-7H,1H3;1H2.
What are the key properties of benzo[f][1,3]benzothiazol-2-yl(phenyl)methanone;benzo[g][1,3]benzothiazol-2-yl(phenyl)methanone;[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone;[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenylmethanone;(4-methyl-1,3-thiazol-2-yl)-phenylmethanone;hydrate?
benzo[f][1,3]benzothiazol-2-yl(phenyl)methanone;benzo[g][1,3]benzothiazol-2-yl(phenyl)methanone;[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone;[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenylmethanone;(4-methyl-1,3-thiazol-2-yl)-phenylmethanone;hydrate has a molecular weight of 1506.84 g/mol, XLogP of 22.14, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f][1,3]benzothiazol-2-yl(phenyl)methanone;benzo[g][1,3]benzothiazol-2-yl(phenyl)methanone;[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-phenylmethanone;[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenylmethanone;(4-methyl-1,3-thiazol-2-yl)-phenylmethanone;hydrate is sourced from PubChem (CID 157138479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).