N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide

C14H18N2OS — CID 40508473

IUPACN-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
SMILESCCc1ccc2c(c1)s/c(=N\C(=O)C(C)C)n2C
InChIInChI=1S/C14H18N2OS/c1-5-10-6-7-11-12(8-10)18-14(16(11)4)15-13(17)9(2)3/h6-9H,5H2,1-4H3/b15-14-
InChIKeyPUQDPJMBNGANCZ-PFONDFGASA-N
MW262.38 g/mol
LogP2.89
Rot. Bonds2

About N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide

N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide (PubChem CID 40508473) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide.

Molecular Properties

Compound NameN-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
PubChem CID40508473
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
SMILESCCc1ccc2c(c1)s/c(=N\C(=O)C(C)C)n2C
InChIInChI=1S/C14H18N2OS/c1-5-10-6-7-11-12(8-10)18-14(16(11)4)15-13(17)9(2)3/h6-9H,5H2,1-4H3/b15-14-
InChIKeyPUQDPJMBNGANCZ-PFONDFGASA-N
XLogP2.89
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 40694545
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-propan-2-yloxybenzamide
CID 40997029
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 40996721
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylbenzamide
CID 40996459
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-1,5-dimethylpyrazole-3-carboxamide
CID 16952446
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methoxyphenyl)acetamide
CID 16912533
3-(benzenesulfonyl)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7519470
N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
CID 40996912
N-[3-(2-ethoxyethyl)-6-fluoro-1,3-benzothiazol-2-ylidene]-2-methylpropanamide
CID 3446585
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonylbenzamide
CID 40996574
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfonylbutanamide
CID 40699846
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-7-methoxy-1-benzofuran-2-carboxamide
CID 40889686

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide?
The IUPAC name of N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide (CID 40508473) is N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide.
What is the SMILES notation for N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide?
The canonical SMILES for N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide is CCc1ccc2c(c1)s/c(=N\C(=O)C(C)C)n2C.
What is the InChIKey of N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide?
The InChIKey is PUQDPJMBNGANCZ-PFONDFGASA-N. The full InChI is InChI=1S/C14H18N2OS/c1-5-10-6-7-11-12(8-10)18-14(16(11)4)15-13(17)9(2)3/h6-9H,5H2,1-4H3/b15-14-.
What are the key properties of N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide?
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide has a molecular weight of 262.38 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide is sourced from PubChem (CID 40508473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).