(2R)-2-acetamido-3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide

C20H21N3O3S — CID 51966820

IUPAC(2R)-2-acetamido-3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
SMILESCOc1cccc(C[C@@H](NC(C)=O)C(=O)Nc2ccc3nc(C)sc3c2)c1
InChIInChI=1S/C20H21N3O3S/c1-12(24)21-18(10-14-5-4-6-16(9-14)26-3)20(25)23-15-7-8-17-19(11-15)27-13(2)22-17/h4-9,11,18H,10H2,1-3H3,(H,21,24)(H,23,25)/t18-/m1/s1
InChIKeyCHMZYCYKQSMRCF-GOSISDBHSA-N
MW383.47 g/mol
LogP3.30
Rot. Bonds6

About (2R)-2-acetamido-3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide

(2R)-2-acetamido-3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (PubChem CID 51966820) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is (2R)-2-acetamido-3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
PubChem CID51966820
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name(2R)-2-acetamido-3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
SMILESCOc1cccc(C[C@@H](NC(C)=O)C(=O)Nc2ccc3nc(C)sc3c2)c1
InChIInChI=1S/C20H21N3O3S/c1-12(24)21-18(10-14-5-4-6-16(9-14)26-3)20(25)23-15-7-8-17-19(11-15)27-13(2)22-17/h4-9,11,18H,10H2,1-3H3,(H,21,24)(H,23,25)/t18-/m1/s1
InChIKeyCHMZYCYKQSMRCF-GOSISDBHSA-N
XLogP3.30
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 2102300
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 47300462
(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide
CID 7741991
3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 9085555
N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682691
4-methoxy-N-[(2S)-3-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)amino]-1-oxobutan-2-yl]benzamide
CID 8011547
(2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide
CID 32736753
1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 8853021
1-(2-methyl-1,3-benzothiazol-6-yl)-3-propan-2-ylurea
CID 3566433
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 9473411

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of (2R)-2-acetamido-3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (CID 51966820) is (2R)-2-acetamido-3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for (2R)-2-acetamido-3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for (2R)-2-acetamido-3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is COc1cccc(C[C@@H](NC(C)=O)C(=O)Nc2ccc3nc(C)sc3c2)c1.
What is the InChIKey of (2R)-2-acetamido-3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is CHMZYCYKQSMRCF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-12(24)21-18(10-14-5-4-6-16(9-14)26-3)20(25)23-15-7-8-17-19(11-15)27-13(2)22-17/h4-9,11,18H,10H2,1-3H3,(H,21,24)(H,23,25)/t18-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
(2R)-2-acetamido-3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 383.47 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-(3-methoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 51966820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).