N-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]acetamide

C13H15N3O2S — CID 106379644

IUPACN-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCc2csc(=O)[nH]2)cc1
InChIInChI=1S/C13H15N3O2S/c1-9(17)15-11-4-2-10(3-5-11)6-14-7-12-8-19-13(18)16-12/h2-5,8,14H,6-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyKGPLHGBUSIUGCR-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.68
Rot. Bonds5

About N-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]acetamide

N-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]acetamide (PubChem CID 106379644) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]acetamide
PubChem CID106379644
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNCc2csc(=O)[nH]2)cc1
InChIInChI=1S/C13H15N3O2S/c1-9(17)15-11-4-2-10(3-5-11)6-14-7-12-8-19-13(18)16-12/h2-5,8,14H,6-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyKGPLHGBUSIUGCR-UHFFFAOYSA-N
XLogP1.68
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-imidazol-1-ylphenyl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106379934
N-[4-(2-oxo-3H-1,3-thiazol-4-yl)phenyl]acetamide
CID 23279717
4-(methylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106383401
N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 20518349
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172
2-[(4-acetamidophenyl)methylamino]acetamide
CID 16773031
3-[(4-acetamidophenyl)methylamino]propanamide
CID 43553315
N-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 106380942
N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide
CID 27654042
4-[[[3-bromo-4-(trifluoromethoxy)phenyl]methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380450
N-[4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenyl]acetamide
CID 79352344
4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380922

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]acetamide (CID 106379644) is N-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNCc2csc(=O)[nH]2)cc1.
What is the InChIKey of N-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]acetamide?
The InChIKey is KGPLHGBUSIUGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9(17)15-11-4-2-10(3-5-11)6-14-7-12-8-19-13(18)16-12/h2-5,8,14H,6-7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]acetamide?
N-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]acetamide has a molecular weight of 277.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 106379644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).