N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide

C18H20N2OS2 — CID 41340089

IUPACN-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
SMILESCCCCc1ccc2c(c1)s/c(=N\C(=O)Cc1cccs1)n2C
InChIInChI=1S/C18H20N2OS2/c1-3-4-6-13-8-9-15-16(11-13)23-18(20(15)2)19-17(21)12-14-7-5-10-22-14/h5,7-11H,3-4,6,12H2,1-2H3/b19-18-
InChIKeyJKJYWNGEVILRHW-HNENSFHCSA-N
MW344.51 g/mol
LogP4.31
Rot. Bonds5

About N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide

N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide (PubChem CID 41340089) has the molecular formula C18H20N2OS2 and a molecular weight of 344.51 g/mol. Its IUPAC name is N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
PubChem CID41340089
Molecular FormulaC18H20N2OS2
Molecular Weight344.51 g/mol
Exact Mass344.10
IUPAC NameN-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
SMILESCCCCc1ccc2c(c1)s/c(=N\C(=O)Cc1cccs1)n2C
InChIInChI=1S/C18H20N2OS2/c1-3-4-6-13-8-9-15-16(11-13)23-18(20(15)2)19-17(21)12-14-7-5-10-22-14/h5,7-11H,3-4,6,12H2,1-2H3/b19-18-
InChIKeyJKJYWNGEVILRHW-HNENSFHCSA-N
XLogP4.31
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide
CID 40996770
N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide
CID 41340232
N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892464
N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
CID 41340076
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 40694545
N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethoxybenzamide
CID 40996647
N-[6-chloro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-thiophen-2-ylacetamide
CID 41340227
ethyl 3-(2-methoxyethyl)-2-(2-thiophen-2-ylacetyl)imino-1,3-benzothiazole-6-carboxylate
CID 41160531
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
CID 40508473
N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
CID 41340186
N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 40694477
6-butyl-3-methyl-1,3-benzothiazol-2-one
CID 19913098

Frequently Asked Questions

What is the IUPAC name of N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide (CID 41340089) is N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide is CCCCc1ccc2c(c1)s/c(=N\C(=O)Cc1cccs1)n2C.
What is the InChIKey of N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide?
The InChIKey is JKJYWNGEVILRHW-HNENSFHCSA-N. The full InChI is InChI=1S/C18H20N2OS2/c1-3-4-6-13-8-9-15-16(11-13)23-18(20(15)2)19-17(21)12-14-7-5-10-22-14/h5,7-11H,3-4,6,12H2,1-2H3/b19-18-.
What are the key properties of N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide?
N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide has a molecular weight of 344.51 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 41340089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).