4-cyano-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

C20H19N3OS — CID 41048065

IUPAC4-cyano-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(C)c(C)cc21
InChIInChI=1S/C20H19N3OS/c1-4-9-23-17-10-13(2)14(3)11-18(17)25-20(23)22-19(24)16-7-5-15(12-21)6-8-16/h5-8,10-11H,4,9H2,1-3H3/b22-20-
InChIKeyHYAZCBMYHMUOKI-XDOYNYLZSA-N
MW349.46 g/mol
LogP4.34
Rot. Bonds3

About 4-cyano-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide

4-cyano-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 41048065) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-cyano-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-cyano-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID41048065
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name4-cyano-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(C)c(C)cc21
InChIInChI=1S/C20H19N3OS/c1-4-9-23-17-10-13(2)14(3)11-18(17)25-20(23)22-19(24)16-7-5-15(12-21)6-8-16/h5-8,10-11H,4,9H2,1-3H3/b22-20-
InChIKeyHYAZCBMYHMUOKI-XDOYNYLZSA-N
XLogP4.34
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-cyano-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide (CID 41048065) is 4-cyano-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-cyano-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-cyano-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is CCCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(C)c(C)cc21.
What is the InChIKey of 4-cyano-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is HYAZCBMYHMUOKI-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-4-9-23-17-10-13(2)14(3)11-18(17)25-20(23)22-19(24)16-7-5-15(12-21)6-8-16/h5-8,10-11H,4,9H2,1-3H3/b22-20-.
What are the key properties of 4-cyano-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide?
4-cyano-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 349.46 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 41048065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).