4-ethoxy-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide

C20H22N2O2S — CID 41235714

IUPAC4-ethoxy-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCOc1ccc(C(=O)/N=c2\sc3cc(C(C)C)ccc3n2C)cc1
InChIInChI=1S/C20H22N2O2S/c1-5-24-16-9-6-14(7-10-16)19(23)21-20-22(4)17-11-8-15(13(2)3)12-18(17)25-20/h6-13H,5H2,1-4H3/b21-20-
InChIKeySFIFSKWQBBGKSH-MRCUWXFGSA-N
MW354.48 g/mol
LogP4.50
Rot. Bonds4

About 4-ethoxy-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide

4-ethoxy-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 41235714) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-ethoxy-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID41235714
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name4-ethoxy-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCOc1ccc(C(=O)/N=c2\sc3cc(C(C)C)ccc3n2C)cc1
InChIInChI=1S/C20H22N2O2S/c1-5-24-16-9-6-14(7-10-16)19(23)21-20-22(4)17-11-8-15(13(2)3)12-18(17)25-20/h6-13H,5H2,1-4H3/b21-20-
InChIKeySFIFSKWQBBGKSH-MRCUWXFGSA-N
XLogP4.50
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-ethoxybenzamide
CID 3279559
4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40697618
4-(diethylsulfamoyl)-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide
CID 41235533
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-propan-2-yloxybenzamide
CID 40997029
ethyl 4-[4-[(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 43946914
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-pentoxybenzamide
CID 5051566
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-pentoxybenzamide
CID 3267822
ethyl 2-[2-(4-methoxybenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate
CID 40997194
4-ethoxy-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 3598474
4-acetyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984224
4-butoxy-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5252740
N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide
CID 40694887

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-ethoxy-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide (CID 41235714) is 4-ethoxy-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-ethoxy-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-ethoxy-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide is CCOc1ccc(C(=O)/N=c2\sc3cc(C(C)C)ccc3n2C)cc1.
What is the InChIKey of 4-ethoxy-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is SFIFSKWQBBGKSH-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-5-24-16-9-6-14(7-10-16)19(23)21-20-22(4)17-11-8-15(13(2)3)12-18(17)25-20/h6-13H,5H2,1-4H3/b21-20-.
What are the key properties of 4-ethoxy-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide?
4-ethoxy-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 354.48 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 41235714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).