2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide

C13H14ClN3OS — CID 168583841

IUPAC2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NCc2cnc(Cl)s2)cc1
InChIInChI=1S/C13H14ClN3OS/c1-15-12(18)6-9-2-4-10(5-3-9)16-7-11-8-17-13(14)19-11/h2-5,8,16H,6-7H2,1H3,(H,15,18)
InChIKeyMXQGPNMMCDBFAG-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.70
Rot. Bonds5

About 2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide

2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide (PubChem CID 168583841) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide
PubChem CID168583841
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NCc2cnc(Cl)s2)cc1
InChIInChI=1S/C13H14ClN3OS/c1-15-12(18)6-9-2-4-10(5-3-9)16-7-11-8-17-13(14)19-11/h2-5,8,16H,6-7H2,1H3,(H,15,18)
InChIKeyMXQGPNMMCDBFAG-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

2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 43713887
2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 62347331
3-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethylpropanamide
CID 168583840
2-[4-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]-N-methylacetamide
CID 61051625
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylsulfonylaniline
CID 168579595
[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]boronic acid
CID 168583966
2-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 43714168
1-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 168581662
N-methyl-2-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 43713951
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 168579937
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 168579564
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(difluoromethyl)aniline
CID 168580395

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide (CID 168583841) is 2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(NCc2cnc(Cl)s2)cc1.
What is the InChIKey of 2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide?
The InChIKey is MXQGPNMMCDBFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-15-12(18)6-9-2-4-10(5-3-9)16-7-11-8-17-13(14)19-11/h2-5,8,16H,6-7H2,1H3,(H,15,18).
What are the key properties of 2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide?
2-[4-[(2-chloro-1,3-thiazol-5-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-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 168583841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).