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

C18H18N2OS — CID 40694545

IUPACN-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
SMILESCCc1ccc2c(c1)s/c(=N\C(=O)Cc1ccccc1)n2C
InChIInChI=1S/C18H18N2OS/c1-3-13-9-10-15-16(11-13)22-18(20(15)2)19-17(21)12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3/b19-18-
InChIKeyBVQYJJGZGCSMQO-HNENSFHCSA-N
MW310.42 g/mol
LogP3.47
Rot. Bonds3

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

N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide (PubChem CID 40694545) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide.

Molecular Properties

Compound NameN-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
PubChem CID40694545
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC NameN-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
SMILESCCc1ccc2c(c1)s/c(=N\C(=O)Cc1ccccc1)n2C
InChIInChI=1S/C18H18N2OS/c1-3-13-9-10-15-16(11-13)22-18(20(15)2)19-17(21)12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3/b19-18-
InChIKeyBVQYJJGZGCSMQO-HNENSFHCSA-N
XLogP3.47
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.47
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-(3-methoxyphenyl)acetamide
CID 16912533
methyl 2-[6-ethyl-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetate
CID 40694547
3-(benzenesulfonyl)-N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7519470
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
CID 40508473
N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 40509023
N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 41048124
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylbenzamide
CID 40996459
2-(3,4-dimethylphenyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7942632
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-naphthalen-2-ylacetamide
CID 16849298
methyl 3-(2-methoxyethyl)-2-(2-phenylacetyl)imino-1,3-benzothiazole-6-carboxylate
CID 3698292
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 40996721
N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
CID 41340089

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide?
The IUPAC name of N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide (CID 40694545) is N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide.
What is the SMILES notation for N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide?
The canonical SMILES for N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide is CCc1ccc2c(c1)s/c(=N\C(=O)Cc1ccccc1)n2C.
What is the InChIKey of N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide?
The InChIKey is BVQYJJGZGCSMQO-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-3-13-9-10-15-16(11-13)22-18(20(15)2)19-17(21)12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3/b19-18-.
What are the key properties of N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide?
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide has a molecular weight of 310.42 g/mol, XLogP of 3.47, 3 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-phenylacetamide is sourced from PubChem (CID 40694545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).