N-[3-[1-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetamide

C13H14ClN3OS — CID 83152765

IUPACN-[3-[1-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)Nc2nc(Cl)cs2)c1
InChIInChI=1S/C13H14ClN3OS/c1-8(15-13-17-12(14)7-19-13)10-4-3-5-11(6-10)16-9(2)18/h3-8H,1-2H3,(H,15,17)(H,16,18)
InChIKeyQAZUCPCHERGZIG-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.93
Rot. Bonds4

About N-[3-[1-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetamide

N-[3-[1-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetamide (PubChem CID 83152765) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is N-[3-[1-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetamide
PubChem CID83152765
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC NameN-[3-[1-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)Nc2nc(Cl)cs2)c1
InChIInChI=1S/C13H14ClN3OS/c1-8(15-13-17-12(14)7-19-13)10-4-3-5-11(6-10)16-9(2)18/h3-8H,1-2H3,(H,15,17)(H,16,18)
InChIKeyQAZUCPCHERGZIG-UHFFFAOYSA-N
XLogP3.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]phenyl]acetamide
CID 65271751
N-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide
CID 65209214
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[3-[1-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethyl]phenyl]acetamide
CID 66275396
N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 2560713
N-[1-(3-acetamidophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 46598816
N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 60735684
N-[(1S)-1-(3-acetamidophenyl)ethyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 95619756
N-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide
CID 63208430
N-[1-(3-acetamidophenyl)ethyl]-2,5-dichlorothiophene-3-carboxamide
CID 55585286
N-[3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]acetamide
CID 43210210

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetamide (CID 83152765) is N-[3-[1-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)Nc2nc(Cl)cs2)c1.
What is the InChIKey of N-[3-[1-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetamide?
The InChIKey is QAZUCPCHERGZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-8(15-13-17-12(14)7-19-13)10-4-3-5-11(6-10)16-9(2)18/h3-8H,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-[3-[1-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetamide?
N-[3-[1-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetamide has a molecular weight of 295.80 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(4-chloro-1,3-thiazol-2-yl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 83152765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).