methyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate

C18H16N2O4S — CID 5183743

IUPACmethyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)/N=c2\sc3cc(OC)ccc3n2C)cc1
InChIInChI=1S/C18H16N2O4S/c1-20-14-9-8-13(23-2)10-15(14)25-18(20)19-16(21)11-4-6-12(7-5-11)17(22)24-3/h4-10H,1-3H3/b19-18-
InChIKeySNFQRPQOVMEUPE-HNENSFHCSA-N
MW356.40 g/mol
LogP2.78
Rot. Bonds3

About methyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate

methyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate (PubChem CID 5183743) has the molecular formula C18H16N2O4S and a molecular weight of 356.40 g/mol. Its IUPAC name is methyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
PubChem CID5183743
Molecular FormulaC18H16N2O4S
Molecular Weight356.40 g/mol
Exact Mass356.08
IUPAC Namemethyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)/N=c2\sc3cc(OC)ccc3n2C)cc1
InChIInChI=1S/C18H16N2O4S/c1-20-14-9-8-13(23-2)10-15(14)25-18(20)19-16(21)11-4-6-12(7-5-11)17(22)24-3/h4-10H,1-3H3/b19-18-
InChIKeySNFQRPQOVMEUPE-HNENSFHCSA-N
XLogP2.78
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate with MolForge

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Related Compounds

3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4670224
N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 4564147
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 5197134
methyl 4-[[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate
CID 41124918
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-pentoxybenzamide
CID 5051566
methyl 2-(4-bromobenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate
CID 2104961
methyl 4-[(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 40697613
4-(benzenesulfonamido)-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 121043626
methyl 2-[4-(dimethylamino)benzoyl]imino-3-methyl-1,3-benzothiazole-6-carboxylate
CID 4164140
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonylbenzamide
CID 3494041
methyl 3-methyl-2-(4-nitrobenzoyl)imino-1,3-benzothiazole-6-carboxylate
CID 2104955
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide
CID 4281720

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate (CID 5183743) is methyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)/N=c2\sc3cc(OC)ccc3n2C)cc1.
What is the InChIKey of methyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate?
The InChIKey is SNFQRPQOVMEUPE-HNENSFHCSA-N. The full InChI is InChI=1S/C18H16N2O4S/c1-20-14-9-8-13(23-2)10-15(14)25-18(20)19-16(21)11-4-6-12(7-5-11)17(22)24-3/h4-10H,1-3H3/b19-18-.
What are the key properties of methyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate?
methyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate has a molecular weight of 356.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate is sourced from PubChem (CID 5183743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).