2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide

C20H19ClN6OS — CID 41259021

IUPAC2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESC[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C20H19ClN6OS/c1-13(20-25-15-5-3-4-6-18(15)29-20)26(2)10-19(28)24-16-9-14(21)7-8-17(16)27-12-22-11-23-27/h3-9,11-13H,10H2,1-2H3,(H,24,28)/t13-/m1/s1
InChIKeyXJHLTBWRWZQLDV-CYBMUJFWSA-N
MW426.93 g/mol
LogP4.16
Rot. Bonds6

About 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide

2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide (PubChem CID 41259021) has the molecular formula C20H19ClN6OS and a molecular weight of 426.93 g/mol. Its IUPAC name is 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
PubChem CID41259021
Molecular FormulaC20H19ClN6OS
Molecular Weight426.93 g/mol
Exact Mass426.10
IUPAC Name2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
SMILESC[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C20H19ClN6OS/c1-13(20-25-15-5-3-4-6-18(15)29-20)26(2)10-19(28)24-16-9-14(21)7-8-17(16)27-12-22-11-23-27/h3-9,11-13H,10H2,1-2H3,(H,24,28)/t13-/m1/s1
InChIKeyXJHLTBWRWZQLDV-CYBMUJFWSA-N
XLogP4.16
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide 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-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 9048691
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[methyl(1-thiophen-2-ylethyl)amino]acetamide
CID 51281899
2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9047764
2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(3-chlorophenyl)acetamide
CID 9047334
[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
CID 46791311
2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9047383
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[cyclopropyl(1-cyclopropylethyl)amino]acetamide
CID 43063375
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]acetamide
CID 9048856
N-(3-acetamidophenyl)-2-[1-(1,3-benzothiazol-2-yl)ethyl-methylamino]acetamide
CID 17432999
2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8805123
2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 9047521
2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-pentan-3-ylacetamide
CID 9047967

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide (CID 41259021) is 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide is C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1.
What is the InChIKey of 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide?
The InChIKey is XJHLTBWRWZQLDV-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19ClN6OS/c1-13(20-25-15-5-3-4-6-18(15)29-20)26(2)10-19(28)24-16-9-14(21)7-8-17(16)27-12-22-11-23-27/h3-9,11-13H,10H2,1-2H3,(H,24,28)/t13-/m1/s1.
What are the key properties of 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide?
2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide has a molecular weight of 426.93 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 41259021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).