4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide

C17H16N2OS2 — CID 7579181

IUPAC4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCSc1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1
InChIInChI=1S/C17H16N2OS2/c1-3-21-13-9-7-12(8-10-13)16(20)19-17-18-15-11(2)5-4-6-14(15)22-17/h4-10H,3H2,1-2H3,(H,18,19,20)
InChIKeyCVSFYVSBLOHXDP-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.97
Rot. Bonds4

About 4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide

4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7579181) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID7579181
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC Name4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCSc1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1
InChIInChI=1S/C17H16N2OS2/c1-3-21-13-9-7-12(8-10-13)16(20)19-17-18-15-11(2)5-4-6-14(15)22-17/h4-10H,3H2,1-2H3,(H,18,19,20)
InChIKeyCVSFYVSBLOHXDP-UHFFFAOYSA-N
XLogP4.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4551607
4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 5072919
4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266872
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7202698
N-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide
CID 41028546
3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126566
N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 8840391
N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24608180
2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 16914998
2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
N-(4-methyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2640846

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide (CID 7579181) is 4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide is CCSc1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1.
What is the InChIKey of 4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is CVSFYVSBLOHXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS2/c1-3-21-13-9-7-12(8-10-13)16(20)19-17-18-15-11(2)5-4-6-14(15)22-17/h4-10H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 328.46 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7579181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).