N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-5-yl)acetamide

C15H12ClF2N3OS — CID 146093949

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-5-yl)acetamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)C(F)(F)c1cncs1
InChIInChI=1S/C15H12ClF2N3OS/c16-10-1-2-12-11(5-10)9(6-21-12)3-4-20-14(22)15(17,18)13-7-19-8-23-13/h1-2,5-8,21H,3-4H2,(H,20,22)
InChIKeyVFNPOVVPYAXWEM-UHFFFAOYSA-N
MW355.80 g/mol
LogP3.73
Rot. Bonds5

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-5-yl)acetamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-5-yl)acetamide (PubChem CID 146093949) has the molecular formula C15H12ClF2N3OS and a molecular weight of 355.80 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-5-yl)acetamide
PubChem CID146093949
Molecular FormulaC15H12ClF2N3OS
Molecular Weight355.80 g/mol
Exact Mass355.04
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-5-yl)acetamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)C(F)(F)c1cncs1
InChIInChI=1S/C15H12ClF2N3OS/c16-10-1-2-12-11(5-10)9(6-21-12)3-4-20-14(22)15(17,18)13-7-19-8-23-13/h1-2,5-8,21H,3-4H2,(H,20,22)
InChIKeyVFNPOVVPYAXWEM-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-(5-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-5-yl)acetamide with MolForge

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Related Compounds

N-[2-(6-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-4-yl)acetamide
CID 146093938
5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 166231909
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111508552
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690
4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 141441300
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
CID 17271850
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate
CID 71994383
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 19589810
2-(5-chloro-1H-indol-3-yl)ethylazanium chloride
CID 11736386
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-5-yl)acetamide (CID 146093949) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-5-yl)acetamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)C(F)(F)c1cncs1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-5-yl)acetamide?
The InChIKey is VFNPOVVPYAXWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3OS/c16-10-1-2-12-11(5-10)9(6-21-12)3-4-20-14(22)15(17,18)13-7-19-8-23-13/h1-2,5-8,21H,3-4H2,(H,20,22).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-5-yl)acetamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-5-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-(5-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 146093949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).