N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide

C13H15N3OS — CID 64988274

IUPACN-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)c2nccs2)cc1
InChIInChI=1S/C13H15N3OS/c1-9(13-14-7-8-18-13)15-11-3-5-12(6-4-11)16-10(2)17/h3-9,15H,1-2H3,(H,16,17)
InChIKeyUMVMRDVETFHPOZ-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.27
Rot. Bonds4

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

N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide (PubChem CID 64988274) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
PubChem CID64988274
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(C)c2nccs2)cc1
InChIInChI=1S/C13H15N3OS/c1-9(13-14-7-8-18-13)15-11-3-5-12(6-4-11)16-10(2)17/h3-9,15H,1-2H3,(H,16,17)
InChIKeyUMVMRDVETFHPOZ-UHFFFAOYSA-N
XLogP3.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 115490965
4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993028
4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993113
2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 64993384
4-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988332
methyl 2-chloro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993310
methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993607
4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993196
N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide
CID 47148362
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
ethyl N-[4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]carbamate
CID 95979285
2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 97357874

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide?
The IUPAC name of N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide (CID 64988274) is N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(C)c2nccs2)cc1.
What is the InChIKey of N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide?
The InChIKey is UMVMRDVETFHPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9(13-14-7-8-18-13)15-11-3-5-12(6-4-11)16-10(2)17/h3-9,15H,1-2H3,(H,16,17).
What are the key properties of N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide?
N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide has a molecular weight of 261.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide is sourced from PubChem (CID 64988274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).