2-(3-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide

C19H20N2O2S — CID 121081506

IUPAC2-(3-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1cccc(CC(=O)Nc2nc3c(C(C)C)cccc3s2)c1
InChIInChI=1S/C19H20N2O2S/c1-12(2)15-8-5-9-16-18(15)21-19(24-16)20-17(22)11-13-6-4-7-14(10-13)23-3/h4-10,12H,11H2,1-3H3,(H,20,21,22)
InChIKeyIIALEWPRMKJPSV-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.61
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide

2-(3-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 121081506) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
PubChem CID121081506
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-(3-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1cccc(CC(=O)Nc2nc3c(C(C)C)cccc3s2)c1
InChIInChI=1S/C19H20N2O2S/c1-12(2)15-8-5-9-16-18(15)21-19(24-16)20-17(22)11-13-6-4-7-14(10-13)23-3/h4-10,12H,11H2,1-3H3,(H,20,21,22)
InChIKeyIIALEWPRMKJPSV-UHFFFAOYSA-N
XLogP4.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 16938538
4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938400
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide
CID 16911522
1-(2,4-dimethoxyphenyl)-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121081368
4-(4-methoxyphenyl)sulfanyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)butanamide
CID 16938521
3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938430
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)propanamide
CID 24564610
2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16848036
2-(4-methoxyphenyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 8719256
2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 51185209
2-(3-methoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2666779
1-(2-phenylethyl)-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121081369

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide (CID 121081506) is 2-(3-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide is COc1cccc(CC(=O)Nc2nc3c(C(C)C)cccc3s2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is IIALEWPRMKJPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-12(2)15-8-5-9-16-18(15)21-19(24-16)20-17(22)11-13-6-4-7-14(10-13)23-3/h4-10,12H,11H2,1-3H3,(H,20,21,22).
What are the key properties of 2-(3-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide?
2-(3-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 340.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 121081506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).