(2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide

C19H20N4O2S — CID 32736753

IUPAC(2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)Nc2ccc3nc(C)sc3c2)cc1
InChIInChI=1S/C19H20N4O2S/c1-11(20-16-8-9-17-18(10-16)26-13(3)22-17)19(25)23-15-6-4-14(5-7-15)21-12(2)24/h4-11,20H,1-3H3,(H,21,24)(H,23,25)/t11-/m1/s1
InChIKeyQISXNNUYMNLBCF-LLVKDONJSA-N
MW368.46 g/mol
LogP4.00
Rot. Bonds5

About (2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide

(2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide (PubChem CID 32736753) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is (2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide
PubChem CID32736753
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name(2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@@H](C)Nc2ccc3nc(C)sc3c2)cc1
InChIInChI=1S/C19H20N4O2S/c1-11(20-16-8-9-17-18(10-16)26-13(3)22-17)19(25)23-15-6-4-14(5-7-15)21-12(2)24/h4-11,20H,1-3H3,(H,21,24)(H,23,25)/t11-/m1/s1
InChIKeyQISXNNUYMNLBCF-LLVKDONJSA-N
XLogP4.00
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 47300462
(2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propan-1-one
CID 36598546
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
(2S)-2-(3-acetamidoanilino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide
CID 25353707
1-(2-methyl-1,3-benzothiazol-6-yl)-3-propan-2-ylurea
CID 3566433
(2S)-2-(4-fluorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 7742007
(2S)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide
CID 7741991
2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 43091108
2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 116675268
1-[(2S)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanoyl]imidazolidin-2-one
CID 39975466
N-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682683
2-(5-acetamido-2-methoxyanilino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide
CID 4884273

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide?
The IUPAC name of (2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide (CID 32736753) is (2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide.
What is the SMILES notation for (2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide?
The canonical SMILES for (2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide is CC(=O)Nc1ccc(NC(=O)[C@@H](C)Nc2ccc3nc(C)sc3c2)cc1.
What is the InChIKey of (2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide?
The InChIKey is QISXNNUYMNLBCF-LLVKDONJSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-11(20-16-8-9-17-18(10-16)26-13(3)22-17)19(25)23-15-6-4-14(5-7-15)21-12(2)24/h4-11,20H,1-3H3,(H,21,24)(H,23,25)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide?
(2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide has a molecular weight of 368.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide is sourced from PubChem (CID 32736753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).