2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide

C14H15ClN2OS2 — CID 71931922

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)NCCc1cscn1
InChIInChI=1S/C14H15ClN2OS2/c15-12-3-1-11(2-4-12)7-19-9-14(18)16-6-5-13-8-20-10-17-13/h1-4,8,10H,5-7,9H2,(H,16,18)
InChIKeyPGLSGKWCVFTXPM-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.39
Rot. Bonds7

About 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 71931922) has the molecular formula C14H15ClN2OS2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID71931922
Molecular FormulaC14H15ClN2OS2
Molecular Weight326.87 g/mol
Exact Mass326.03
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)NCCc1cscn1
InChIInChI=1S/C14H15ClN2OS2/c15-12-3-1-11(2-4-12)7-19-9-14(18)16-6-5-13-8-20-10-17-13/h1-4,8,10H,5-7,9H2,(H,16,18)
InChIKeyPGLSGKWCVFTXPM-UHFFFAOYSA-N
XLogP3.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624727
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-chloroprop-2-enyl)acetamide
CID 115637013
2-benzylsulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 880125
methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]acetate
CID 8552014
5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 71974317
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284874
N-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide
CID 110483325
2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284893
2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 79281124
2-[2-[3-(1,3-thiazol-4-yl)propanoylamino]ethylsulfanyl]acetic acid
CID 119241610
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 95091670

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (CID 71931922) is 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is O=C(CSCc1ccc(Cl)cc1)NCCc1cscn1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is PGLSGKWCVFTXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS2/c15-12-3-1-11(2-4-12)7-19-9-14(18)16-6-5-13-8-20-10-17-13/h1-4,8,10H,5-7,9H2,(H,16,18).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 326.87 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 71931922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).