N-[2-(6-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-4-yl)acetamide

C15H12ClF2N3OS — CID 146093938

IUPACN-[2-(6-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-4-yl)acetamide
SMILESO=C(NCCc1c[nH]c2cc(Cl)ccc12)C(F)(F)c1cscn1
InChIInChI=1S/C15H12ClF2N3OS/c16-10-1-2-11-9(6-20-12(11)5-10)3-4-19-14(22)15(17,18)13-7-23-8-21-13/h1-2,5-8,20H,3-4H2,(H,19,22)
InChIKeyYGEOHBKSOULCAZ-UHFFFAOYSA-N
MW355.80 g/mol
LogP3.73
Rot. Bonds5

About N-[2-(6-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-4-yl)acetamide

N-[2-(6-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-4-yl)acetamide (PubChem CID 146093938) has the molecular formula C15H12ClF2N3OS and a molecular weight of 355.80 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-4-yl)acetamide
PubChem CID146093938
Molecular FormulaC15H12ClF2N3OS
Molecular Weight355.80 g/mol
Exact Mass355.04
IUPAC NameN-[2-(6-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-4-yl)acetamide
SMILESO=C(NCCc1c[nH]c2cc(Cl)ccc12)C(F)(F)c1cscn1
InChIInChI=1S/C15H12ClF2N3OS/c16-10-1-2-11-9(6-20-12(11)5-10)3-4-19-14(22)15(17,18)13-7-23-8-21-13/h1-2,5-8,20H,3-4H2,(H,19,22)
InChIKeyYGEOHBKSOULCAZ-UHFFFAOYSA-N
XLogP3.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(6-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-4-yl)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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-5-yl)acetamide
CID 146093949
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide
CID 113083843
2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide
CID 113083839
2-(4-chlorophenoxy)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 60607081
N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113083858
N-[2-(6-chloro-1H-indol-3-yl)ethyl]pyrimidin-2-amine
CID 133277622
1-[2-(2,4-dichlorophenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108989626
2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate
CID 175327400
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 79792358
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113083842
2-(6-chloro-1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113209743

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(6-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-4-yl)acetamide (CID 146093938) is N-[2-(6-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(6-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(6-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-4-yl)acetamide is O=C(NCCc1c[nH]c2cc(Cl)ccc12)C(F)(F)c1cscn1.
What is the InChIKey of N-[2-(6-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-4-yl)acetamide?
The InChIKey is YGEOHBKSOULCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3OS/c16-10-1-2-11-9(6-20-12(11)5-10)3-4-19-14(22)15(17,18)13-7-23-8-21-13/h1-2,5-8,20H,3-4H2,(H,19,22).
What are the key properties of N-[2-(6-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-4-yl)acetamide?
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-4-yl)acetamide has a molecular weight of 355.80 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 146093938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).