N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide

C14H18N2O2S — CID 2150950

IUPACN-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
SMILESCOc1ccc(C)c2s/c(=N\C(=O)C(C)C)n(C)c12
InChIInChI=1S/C14H18N2O2S/c1-8(2)13(17)15-14-16(4)11-10(18-5)7-6-9(3)12(11)19-14/h6-8H,1-5H3/b15-14-
InChIKeyVFPBLFUHYZBQNR-PFONDFGASA-N
MW278.38 g/mol
LogP2.64
Rot. Bonds2

About N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide

N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide (PubChem CID 2150950) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
PubChem CID2150950
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
SMILESCOc1ccc(C)c2s/c(=N\C(=O)C(C)C)n(C)c12
InChIInChI=1S/C14H18N2O2S/c1-8(2)13(17)15-14-16(4)11-10(18-5)7-6-9(3)12(11)19-14/h6-8H,1-5H3/b15-14-
InChIKeyVFPBLFUHYZBQNR-PFONDFGASA-N
XLogP2.64
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide
CID 16913074
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfanylbenzamide
CID 41127134
4-fluoro-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2150824
2,6-dimethoxy-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7152680
3-bromo-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885153
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
CID 2150968
2-ethyl-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)pyrazole-3-carboxamide
CID 42111312
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 7152631
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4-dimethylphenyl)acetamide
CID 40697863
(3R)-N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2151008
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-3-(4-nitrophenyl)prop-2-enamide
CID 7025671
N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 2150976

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide?
The IUPAC name of N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide (CID 2150950) is N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide.
What is the SMILES notation for N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide?
The canonical SMILES for N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide is COc1ccc(C)c2s/c(=N\C(=O)C(C)C)n(C)c12.
What is the InChIKey of N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide?
The InChIKey is VFPBLFUHYZBQNR-PFONDFGASA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-8(2)13(17)15-14-16(4)11-10(18-5)7-6-9(3)12(11)19-14/h6-8H,1-5H3/b15-14-.
What are the key properties of N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide?
N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide has a molecular weight of 278.38 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3,7-dimethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide is sourced from PubChem (CID 2150950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).