4-tert-butyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide

C21H24N2O2S — CID 5095445

IUPAC4-tert-butyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
SMILESCOCCn1/c(=N/C(=O)c2ccc(C(C)(C)C)cc2)sc2ccccc21
InChIInChI=1S/C21H24N2O2S/c1-21(2,3)16-11-9-15(10-12-16)19(24)22-20-23(13-14-25-4)17-7-5-6-8-18(17)26-20/h5-12H,13-14H2,1-4H3/b22-20-
InChIKeyMFPFRDZOPYUHSG-XDOYNYLZSA-N
MW368.50 g/mol
LogP4.39
Rot. Bonds4

About 4-tert-butyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide

4-tert-butyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide (PubChem CID 5095445) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
PubChem CID5095445
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name4-tert-butyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
SMILESCOCCn1/c(=N/C(=O)c2ccc(C(C)(C)C)cc2)sc2ccccc21
InChIInChI=1S/C21H24N2O2S/c1-21(2,3)16-11-9-15(10-12-16)19(24)22-20-23(13-14-25-4)17-7-5-6-8-18(17)26-20/h5-12H,13-14H2,1-4H3/b22-20-
InChIKeyMFPFRDZOPYUHSG-XDOYNYLZSA-N
XLogP4.39
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide (CID 5095445) is 4-tert-butyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide is COCCn1/c(=N/C(=O)c2ccc(C(C)(C)C)cc2)sc2ccccc21.
What is the InChIKey of 4-tert-butyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide?
The InChIKey is MFPFRDZOPYUHSG-XDOYNYLZSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-21(2,3)16-11-9-15(10-12-16)19(24)22-20-23(13-14-25-4)17-7-5-6-8-18(17)26-20/h5-12H,13-14H2,1-4H3/b22-20-.
What are the key properties of 4-tert-butyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide?
4-tert-butyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide has a molecular weight of 368.50 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide is sourced from PubChem (CID 5095445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).