2-(4-chlorophenoxy)-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide

C20H21ClN2O3S — CID 41136924

IUPAC2-(4-chlorophenoxy)-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCCn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2c(C)ccc(OC)c21
InChIInChI=1S/C20H21ClN2O3S/c1-4-11-23-18-16(25-3)10-5-13(2)19(18)27-20(23)22-17(24)12-26-15-8-6-14(21)7-9-15/h5-10H,4,11-12H2,1-3H3/b22-20-
InChIKeyWQEVYMYMQJYIHP-XDOYNYLZSA-N
MW404.92 g/mol
LogP4.59
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide

2-(4-chlorophenoxy)-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 41136924) has the molecular formula C20H21ClN2O3S and a molecular weight of 404.92 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID41136924
Molecular FormulaC20H21ClN2O3S
Molecular Weight404.92 g/mol
Exact Mass404.10
IUPAC Name2-(4-chlorophenoxy)-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCCn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2c(C)ccc(OC)c21
InChIInChI=1S/C20H21ClN2O3S/c1-4-11-23-18-16(25-3)10-5-13(2)19(18)27-20(23)22-17(24)12-26-15-8-6-14(21)7-9-15/h5-10H,4,11-12H2,1-3H3/b22-20-
InChIKeyWQEVYMYMQJYIHP-XDOYNYLZSA-N
XLogP4.59
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7541284
2-(4-chlorophenyl)sulfonyl-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41136978
2-(4-chlorophenoxy)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43984884
2-(4-chlorophenoxy)-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)acetamide
CID 40508911
2-chloro-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-5-nitrobenzamide
CID 41136958
2,4-dichloro-N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885192
N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide
CID 41136959
2-(4-chlorophenoxy)-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide
CID 40697668
2-(4-chlorophenoxy)-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]acetamide
CID 41202829
N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
CID 41136943
2-chloro-N-(4,7-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41136983
N-(3-ethyl-4-methoxy-7-methyl-1,3-benzothiazol-2-ylidene)-2-(2-methoxy-5-methylphenyl)acetamide
CID 16913075

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide (CID 41136924) is 2-(4-chlorophenoxy)-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide is CCCn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2c(C)ccc(OC)c21.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is WQEVYMYMQJYIHP-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H21ClN2O3S/c1-4-11-23-18-16(25-3)10-5-13(2)19(18)27-20(23)22-17(24)12-26-15-8-6-14(21)7-9-15/h5-10H,4,11-12H2,1-3H3/b22-20-.
What are the key properties of 2-(4-chlorophenoxy)-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(4-chlorophenoxy)-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 404.92 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 41136924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).