N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide

C21H24N2O3S — CID 40996647

IUPACN-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide
SMILESCCCCc1ccc2c(c1)s/c(=N\C(=O)c1ccc(OC)c(OC)c1)n2C
InChIInChI=1S/C21H24N2O3S/c1-5-6-7-14-8-10-16-19(12-14)27-21(23(16)2)22-20(24)15-9-11-17(25-3)18(13-15)26-4/h8-13H,5-7H2,1-4H3/b22-21-
InChIKeyHNSGTRXWXFGFHH-DQRAZIAOSA-N
MW384.50 g/mol
LogP4.34
Rot. Bonds6

About N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide

N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide (PubChem CID 40996647) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide
PubChem CID40996647
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide
SMILESCCCCc1ccc2c(c1)s/c(=N\C(=O)c1ccc(OC)c(OC)c1)n2C
InChIInChI=1S/C21H24N2O3S/c1-5-6-7-14-8-10-16-19(12-14)27-21(23(16)2)22-20(24)15-9-11-17(25-3)18(13-15)26-4/h8-13H,5-7H2,1-4H3/b22-21-
InChIKeyHNSGTRXWXFGFHH-DQRAZIAOSA-N
XLogP4.34
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 40694477
N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide
CID 8612770
N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043463
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-pentoxybenzamide
CID 5051566
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 40996721
3,4-dimethoxy-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43985096
3-butoxy-N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3711055
N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 40996856
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-pentoxybenzamide
CID 3267822
N-[3-(2-ethoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-3,4-dimethoxybenzamide
CID 40697688
methyl 2-[2-methoxy-5-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamoyl]phenoxy]acetate
CID 55771449
methyl 2-(3-butoxybenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate
CID 3629041

Frequently Asked Questions

What is the IUPAC name of N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide?
The IUPAC name of N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide (CID 40996647) is N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide is CCCCc1ccc2c(c1)s/c(=N\C(=O)c1ccc(OC)c(OC)c1)n2C.
What is the InChIKey of N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide?
The InChIKey is HNSGTRXWXFGFHH-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-5-6-7-14-8-10-16-19(12-14)27-21(23(16)2)22-20(24)15-9-11-17(25-3)18(13-15)26-4/h8-13H,5-7H2,1-4H3/b22-21-.
What are the key properties of N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide?
N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide has a molecular weight of 384.50 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide is sourced from PubChem (CID 40996647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).