2,4-dichloro-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

C19H18Cl2N2OS — CID 43984080

IUPAC2,4-dichloro-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2cc(CC)ccc21
InChIInChI=1S/C19H18Cl2N2OS/c1-3-9-23-16-8-5-12(4-2)10-17(16)25-19(23)22-18(24)14-7-6-13(20)11-15(14)21/h5-8,10-11H,3-4,9H2,1-2H3/b22-19-
InChIKeyKVFSOEBKVVAWDU-QOCHGBHMSA-N
MW393.34 g/mol
LogP5.72
Rot. Bonds4

About 2,4-dichloro-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

2,4-dichloro-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 43984080) has the molecular formula C19H18Cl2N2OS and a molecular weight of 393.34 g/mol. Its IUPAC name is 2,4-dichloro-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID43984080
Molecular FormulaC19H18Cl2N2OS
Molecular Weight393.34 g/mol
Exact Mass392.05
IUPAC Name2,4-dichloro-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2cc(CC)ccc21
InChIInChI=1S/C19H18Cl2N2OS/c1-3-9-23-16-8-5-12(4-2)10-17(16)25-19(23)22-18(24)14-7-6-13(20)11-15(14)21/h5-8,10-11H,3-4,9H2,1-2H3/b22-19-
InChIKeyKVFSOEBKVVAWDU-QOCHGBHMSA-N
XLogP5.72
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.34
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43979791
2,4-dichloro-N-(6-nitro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984974
2,4-dichloro-N-(5,6-dimethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41134090
2,5-dichloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983980
N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
CID 43984141
2,5-dichloro-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43985105
4-acetyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984091
2,4-dichloro-N-[6-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 5079939
2,4-dichloro-N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 41124888
4-chloro-N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43983945
2-chloro-N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-fluorobenzamide
CID 43938460
N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 43984617

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 2,4-dichloro-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (CID 43984080) is 2,4-dichloro-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 2,4-dichloro-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is CCCn1/c(=N/C(=O)c2ccc(Cl)cc2Cl)sc2cc(CC)ccc21.
What is the InChIKey of 2,4-dichloro-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is KVFSOEBKVVAWDU-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H18Cl2N2OS/c1-3-9-23-16-8-5-12(4-2)10-17(16)25-19(23)22-18(24)14-7-6-13(20)11-15(14)21/h5-8,10-11H,3-4,9H2,1-2H3/b22-19-.
What are the key properties of 2,4-dichloro-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
2,4-dichloro-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 393.34 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 43984080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).