N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide

C18H17ClN2O4S — CID 4320569

IUPACN-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)/N=c2\sc3cc(Cl)ccc3n2C)cc(OC)c1OC
InChIInChI=1S/C18H17ClN2O4S/c1-21-12-6-5-11(19)9-15(12)26-18(21)20-17(22)10-7-13(23-2)16(25-4)14(8-10)24-3/h5-9H,1-4H3/b20-18-
InChIKeyYMQHNSNUGZWWNE-ZZEZOPTASA-N
MW392.86 g/mol
LogP3.66
Rot. Bonds4

About N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide

N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide (PubChem CID 4320569) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide
PubChem CID4320569
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC NameN-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)/N=c2\sc3cc(Cl)ccc3n2C)cc(OC)c1OC
InChIInChI=1S/C18H17ClN2O4S/c1-21-12-6-5-11(19)9-15(12)26-18(21)20-17(22)10-7-13(23-2)16(25-4)14(8-10)24-3/h5-9H,1-4H3/b20-18-
InChIKeyYMQHNSNUGZWWNE-ZZEZOPTASA-N
XLogP3.66
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide
CID 4658804
N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
CID 4666362
4-chloro-N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40508845
3,5-dimethoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4670224
3,4,5-trimethoxy-N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7540621
3,5-dichloro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4641541
4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4231281
N-[4,6-dichloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-trimethoxybenzamide
CID 40886403
3,4,5-trimethoxy-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3561451
3,5-dichloro-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5175515
N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 3453349
methyl 4-[(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 5183743

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide (CID 4320569) is N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)/N=c2\sc3cc(Cl)ccc3n2C)cc(OC)c1OC.
What is the InChIKey of N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide?
The InChIKey is YMQHNSNUGZWWNE-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-21-12-6-5-11(19)9-15(12)26-18(21)20-17(22)10-7-13(23-2)16(25-4)14(8-10)24-3/h5-9H,1-4H3/b20-18-.
What are the key properties of N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide?
N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide has a molecular weight of 392.86 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 4320569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).