4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

C19H20N2O2S — CID 43983958

IUPAC4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cc(C)ccc21
InChIInChI=1S/C19H20N2O2S/c1-4-11-21-16-10-5-13(2)12-17(16)24-19(21)20-18(22)14-6-8-15(23-3)9-7-14/h5-10,12H,4,11H2,1-3H3/b20-19-
InChIKeyFGAKKLRDKYVZBU-VXPUYCOJSA-N
MW340.45 g/mol
LogP4.17
Rot. Bonds4

About 4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 43983958) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID43983958
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cc(C)ccc21
InChIInChI=1S/C19H20N2O2S/c1-4-11-21-16-10-5-13(2)12-17(16)24-19(21)20-18(22)14-6-8-15(23-3)9-7-14/h5-10,12H,4,11H2,1-3H3/b20-19-
InChIKeyFGAKKLRDKYVZBU-VXPUYCOJSA-N
XLogP4.17
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983952
4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983945
4-methoxy-N-(3-propyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7540820
N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984403
3,4,5-trimethoxy-N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7540621
ethyl 2-[6-methoxy-2-(4-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 4108676
N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7540616
4-ethoxy-N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 41124816
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
CID 43984453
4-bromo-N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984720
N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-6-carboxamide
CID 43984423
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-pentoxybenzamide
CID 3267822

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (CID 43983958) is 4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is CCCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cc(C)ccc21.
What is the InChIKey of 4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is FGAKKLRDKYVZBU-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-4-11-21-16-10-5-13(2)12-17(16)24-19(21)20-18(22)14-6-8-15(23-3)9-7-14/h5-10,12H,4,11H2,1-3H3/b20-19-.
What are the key properties of 4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 340.45 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 43983958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).