N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide

C18H18N2O3S2 — CID 40509793

IUPACN-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide
SMILESCOc1ccc(OC)c2c1s/c(=N\C(=O)c1ccccc1SC)n2C
InChIInChI=1S/C18H18N2O3S2/c1-20-15-12(22-2)9-10-13(23-3)16(15)25-18(20)19-17(21)11-7-5-6-8-14(11)24-4/h5-10H,1-4H3/b19-18-
InChIKeyQCUWDBHAICGNDY-HNENSFHCSA-N
MW374.49 g/mol
LogP3.72
Rot. Bonds4

About N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide

N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide (PubChem CID 40509793) has the molecular formula C18H18N2O3S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide
PubChem CID40509793
Molecular FormulaC18H18N2O3S2
Molecular Weight374.49 g/mol
Exact Mass374.08
IUPAC NameN-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide
SMILESCOc1ccc(OC)c2c1s/c(=N\C(=O)c1ccccc1SC)n2C
InChIInChI=1S/C18H18N2O3S2/c1-20-15-12(22-2)9-10-13(23-3)16(15)25-18(20)19-17(21)11-7-5-6-8-14(11)24-4/h5-10H,1-4H3/b19-18-
InChIKeyQCUWDBHAICGNDY-HNENSFHCSA-N
XLogP3.72
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 2150976
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
CID 2150973
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2,4-dimethoxybenzamide
CID 2150844
4-tert-butyl-N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885349
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide
CID 40694900
2-methylsulfanyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40951787
2-chloro-N-(4,7-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41136983
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
CID 2150968
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide
CID 40885472
4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2150824
N-(7-chloro-4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 7590249
methyl 2-[5,6-dimethoxy-2-(2-methylsulfanylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 40951843

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide?
The IUPAC name of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide (CID 40509793) is N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide is COc1ccc(OC)c2c1s/c(=N\C(=O)c1ccccc1SC)n2C.
What is the InChIKey of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide?
The InChIKey is QCUWDBHAICGNDY-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2O3S2/c1-20-15-12(22-2)9-10-13(23-3)16(15)25-18(20)19-17(21)11-7-5-6-8-14(11)24-4/h5-10H,1-4H3/b19-18-.
What are the key properties of N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide?
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide has a molecular weight of 374.49 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide is sourced from PubChem (CID 40509793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).