2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide

C13H14ClN3OS — CID 104879443

IUPAC2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NCc1ncc(Cl)s1
InChIInChI=1S/C13H14ClN3OS/c1-15-12(18)6-9-4-2-3-5-10(9)16-8-13-17-7-11(14)19-13/h2-5,7,16H,6,8H2,1H3,(H,15,18)
InChIKeyVLHMPQPCPBMEHT-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.70
Rot. Bonds5

About 2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide

2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide (PubChem CID 104879443) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide
PubChem CID104879443
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NCc1ncc(Cl)s1
InChIInChI=1S/C13H14ClN3OS/c1-15-12(18)6-9-4-2-3-5-10(9)16-8-13-17-7-11(14)19-13/h2-5,7,16H,6,8H2,1H3,(H,15,18)
InChIKeyVLHMPQPCPBMEHT-UHFFFAOYSA-N
XLogP2.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-ethylsulfonylaniline
CID 107123989
3-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenoxy]propanamide
CID 104879474
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-phenylaniline
CID 104921590
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide
CID 107095648
N-methyl-2-[2-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104756616
2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]-N-methylacetamide
CID 61319910
2-[2-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 62344823
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]benzonitrile
CID 107123890
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 104879207
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 104879408
methyl 4-chloro-2-[(5-chloro-1,3-thiazol-2-yl)methylamino]benzoate
CID 107123927
4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 63307585

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide (CID 104879443) is 2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccccc1NCc1ncc(Cl)s1.
What is the InChIKey of 2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide?
The InChIKey is VLHMPQPCPBMEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-15-12(18)6-9-4-2-3-5-10(9)16-8-13-17-7-11(14)19-13/h2-5,7,16H,6,8H2,1H3,(H,15,18).
What are the key properties of 2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide?
2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide has a molecular weight of 295.80 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 104879443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).