N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide

C23H20N2OS — CID 46502801

IUPACN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1
InChIInChI=1S/C23H20N2OS/c1-3-16-8-10-17(11-9-16)22(26)24-19-13-12-18(14-15(19)2)23-25-20-6-4-5-7-21(20)27-23/h4-14H,3H2,1-2H3,(H,24,26)
InChIKeyHXDJIJNTQIUNQH-UHFFFAOYSA-N
MW372.49 g/mol
LogP6.09
Rot. Bonds4

About N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide

N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide (PubChem CID 46502801) has the molecular formula C23H20N2OS and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide
PubChem CID46502801
Molecular FormulaC23H20N2OS
Molecular Weight372.49 g/mol
Exact Mass372.13
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1
InChIInChI=1S/C23H20N2OS/c1-3-16-8-10-17(11-9-16)22(26)24-19-13-12-18(14-15(19)2)23-25-20-6-4-5-7-21(20)27-23/h4-14H,3H2,1-2H3,(H,24,26)
InChIKeyHXDJIJNTQIUNQH-UHFFFAOYSA-N
XLogP6.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide
CID 17100714
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-4-methylbenzamide
CID 17132014
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-4-ethoxybenzamide
CID 3934866
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide
CID 46785977
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-tert-butylbenzamide
CID 3116484
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-chlorobenzamide
CID 3120632
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propan-2-yloxybenzamide
CID 2224805
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,6-dimethoxybenzamide
CID 46502802
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-phenylmethoxybenzamide
CID 4053442
2-(4-ethylphenyl)-1,3-benzothiazole
CID 17307932
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide
CID 17116673
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(2,4-dimethylphenyl)benzamide
CID 4020876

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide (CID 46502801) is N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide is CCc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide?
The InChIKey is HXDJIJNTQIUNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS/c1-3-16-8-10-17(11-9-16)22(26)24-19-13-12-18(14-15(19)2)23-25-20-6-4-5-7-21(20)27-23/h4-14H,3H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide?
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide is sourced from PubChem (CID 46502801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).