N-(1,3-benzothiazol-6-yl)-2-(3-propoxyphenyl)acetamide

C18H18N2O2S — CID 68556665

IUPACN-(1,3-benzothiazol-6-yl)-2-(3-propoxyphenyl)acetamide
SMILESCCCOc1cccc(CC(=O)Nc2ccc3ncsc3c2)c1
InChIInChI=1S/C18H18N2O2S/c1-2-8-22-15-5-3-4-13(9-15)10-18(21)20-14-6-7-16-17(11-14)23-12-19-16/h3-7,9,11-12H,2,8,10H2,1H3,(H,20,21)
InChIKeyKMQPPEPIQJBOIW-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.27
Rot. Bonds6

About N-(1,3-benzothiazol-6-yl)-2-(3-propoxyphenyl)acetamide

N-(1,3-benzothiazol-6-yl)-2-(3-propoxyphenyl)acetamide (PubChem CID 68556665) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-2-(3-propoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-2-(3-propoxyphenyl)acetamide
PubChem CID68556665
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-(1,3-benzothiazol-6-yl)-2-(3-propoxyphenyl)acetamide
SMILESCCCOc1cccc(CC(=O)Nc2ccc3ncsc3c2)c1
InChIInChI=1S/C18H18N2O2S/c1-2-8-22-15-5-3-4-13(9-15)10-18(21)20-14-6-7-16-17(11-14)23-12-19-16/h3-7,9,11-12H,2,8,10H2,1H3,(H,20,21)
InChIKeyKMQPPEPIQJBOIW-UHFFFAOYSA-N
XLogP4.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-6-yl)-2-(3-hex-2-ynoxyphenyl)acetamide
CID 91389846
N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propoxyphenyl)acetamide
CID 68558882
N-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide
CID 91356894
2-(3-hydroxyphenyl)-N-(4-propoxyphenyl)acetamide
CID 62327820
N-(1,3-benzothiazol-5-yl)-3-butoxybenzamide
CID 18585520
N-(1,3-benzothiazol-6-yl)-2-[2-fluoro-3-[(E)-hept-3-enoxy]phenyl]acetamide
CID 68562053
N-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide
CID 41085216
2-(4-methoxyphenyl)-N-(3-propoxyphenyl)acetamide
CID 17096682
N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 24643722
2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2102300
N-(1,3-benzothiazol-6-yl)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]acetamide
CID 68558974
N-(1,3-benzothiazol-6-yl)-2-(butan-2-ylamino)acetamide
CID 114003189

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-2-(3-propoxyphenyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-2-(3-propoxyphenyl)acetamide (CID 68556665) is N-(1,3-benzothiazol-6-yl)-2-(3-propoxyphenyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-2-(3-propoxyphenyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-2-(3-propoxyphenyl)acetamide is CCCOc1cccc(CC(=O)Nc2ccc3ncsc3c2)c1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-2-(3-propoxyphenyl)acetamide?
The InChIKey is KMQPPEPIQJBOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-2-8-22-15-5-3-4-13(9-15)10-18(21)20-14-6-7-16-17(11-14)23-12-19-16/h3-7,9,11-12H,2,8,10H2,1H3,(H,20,21).
What are the key properties of N-(1,3-benzothiazol-6-yl)-2-(3-propoxyphenyl)acetamide?
N-(1,3-benzothiazol-6-yl)-2-(3-propoxyphenyl)acetamide has a molecular weight of 326.42 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-2-(3-propoxyphenyl)acetamide is sourced from PubChem (CID 68556665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).