N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide

C20H22N2OS — CID 41048124

IUPACN-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
SMILESCCCn1/c(=N/C(=O)Cc2ccccc2)sc2cc(C)c(C)cc21
InChIInChI=1S/C20H22N2OS/c1-4-10-22-17-11-14(2)15(3)12-18(17)24-20(22)21-19(23)13-16-8-6-5-7-9-16/h5-9,11-12H,4,10,13H2,1-3H3/b21-20-
InChIKeyLKMMDJWYTDTFHD-MRCUWXFGSA-N
MW338.48 g/mol
LogP4.40
Rot. Bonds4

About N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide

N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide (PubChem CID 41048124) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
PubChem CID41048124
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC NameN-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
SMILESCCCn1/c(=N/C(=O)Cc2ccccc2)sc2cc(C)c(C)cc21
InChIInChI=1S/C20H22N2OS/c1-4-10-22-17-11-14(2)15(3)12-18(17)24-20(22)21-19(23)13-16-8-6-5-7-9-16/h5-9,11-12H,4,10,13H2,1-3H3/b21-20-
InChIKeyLKMMDJWYTDTFHD-MRCUWXFGSA-N
XLogP4.40
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 40697652
3-(benzenesulfonyl)-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide
CID 40697651
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 40694545
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 41001527
2-benzylsulfonyl-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 42523791
N-(5,6-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
CID 40509023
4-benzylsulfanyl-N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]butanamide
CID 121055381
methyl 2-[5,6-dimethoxy-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetate
CID 40509024
N-(6-bromo-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
CID 43984804
N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide
CID 43984928
N-[3-(2-ethoxyethyl)-6-fluoro-1,3-benzothiazol-2-ylidene]-2-phenylacetamide
CID 4109963
4-benzylsulfonyl-N-[3-(2-ethoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]butanamide
CID 42558299

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide?
The IUPAC name of N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide (CID 41048124) is N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide.
What is the SMILES notation for N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide?
The canonical SMILES for N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide is CCCn1/c(=N/C(=O)Cc2ccccc2)sc2cc(C)c(C)cc21.
What is the InChIKey of N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide?
The InChIKey is LKMMDJWYTDTFHD-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-4-10-22-17-11-14(2)15(3)12-18(17)24-20(22)21-19(23)13-16-8-6-5-7-9-16/h5-9,11-12H,4,10,13H2,1-3H3/b21-20-.
What are the key properties of N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide?
N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide has a molecular weight of 338.48 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide is sourced from PubChem (CID 41048124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).