3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide

C13H14ClN3O2S — CID 104879474

IUPAC3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide
SMILESNC(=O)CCOc1ccccc1NCc1ncc(Cl)s1
InChIInChI=1S/C13H14ClN3O2S/c14-11-7-17-13(20-11)8-16-9-3-1-2-4-10(9)19-6-5-12(15)18/h1-4,7,16H,5-6,8H2,(H2,15,18)
InChIKeyZNVNHGHJMVAIIK-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.66
Rot. Bonds7

About 3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide

3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide (PubChem CID 104879474) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide
PubChem CID104879474
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide
SMILESNC(=O)CCOc1ccccc1NCc1ncc(Cl)s1
InChIInChI=1S/C13H14ClN3O2S/c14-11-7-17-13(20-11)8-16-9-3-1-2-4-10(9)19-6-5-12(15)18/h1-4,7,16H,5-6,8H2,(H2,15,18)
InChIKeyZNVNHGHJMVAIIK-UHFFFAOYSA-N
XLogP2.66
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 104879408
3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide
CID 43729736
2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide
CID 104879443
3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide
CID 62743092
3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide
CID 115744008
3-[2-(1H-pyrrol-3-ylmethylamino)phenoxy]propanamide
CID 66407426
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline
CID 104921590
3-[2-[(4-methylsulfinylphenyl)methylamino]phenoxy]propanamide
CID 75385127
3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide
CID 114319843
3-[2-(1-cyclopropylethylamino)phenoxy]propanamide
CID 43729791
3-[2-(thiolan-3-ylmethylamino)phenoxy]propanamide
CID 107131685
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide
CID 79813998

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide?
The IUPAC name of 3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide (CID 104879474) is 3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide.
What is the SMILES notation for 3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide?
The canonical SMILES for 3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide is NC(=O)CCOc1ccccc1NCc1ncc(Cl)s1.
What is the InChIKey of 3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide?
The InChIKey is ZNVNHGHJMVAIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c14-11-7-17-13(20-11)8-16-9-3-1-2-4-10(9)19-6-5-12(15)18/h1-4,7,16H,5-6,8H2,(H2,15,18).
What are the key properties of 3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide?
3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide has a molecular weight of 311.79 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide is sourced from PubChem (CID 104879474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).