N-[2-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]acetamide

C13H15N3OS — CID 115732622

IUPACN-[2-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNCc1cncs1
InChIInChI=1S/C13H15N3OS/c1-10(17)16-13-5-3-2-4-11(13)6-14-7-12-8-15-9-18-12/h2-5,8-9,14H,6-7H2,1H3,(H,16,17)
InChIKeyPQXPNDLUUQMOLU-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.39
Rot. Bonds5

About N-[2-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]acetamide

N-[2-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]acetamide (PubChem CID 115732622) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[2-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]acetamide
PubChem CID115732622
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[2-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNCc1cncs1
InChIInChI=1S/C13H15N3OS/c1-10(17)16-13-5-3-2-4-11(13)6-14-7-12-8-15-9-18-12/h2-5,8-9,14H,6-7H2,1H3,(H,16,17)
InChIKeyPQXPNDLUUQMOLU-UHFFFAOYSA-N
XLogP2.39
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(thiophen-2-ylmethylamino)methyl]phenyl]acetamide
CID 66290268
1-(2,3-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589113
2-methoxy-6-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 104589124
N-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide
CID 115768047
N-[2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenyl]acetamide
CID 104694418
methyl 2-[5-[(1,3-thiazol-5-ylmethylamino)methyl]thiophen-2-yl]acetate
CID 104588985
N-[2-[(4,4,4-trifluorobutylamino)methyl]phenyl]acetamide
CID 115474667
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
2-(2-acetamidophenyl)ethanethioic S-acid
CID 21276599
N-[2-[[3-(dimethylamino)propylamino]methyl]phenyl]acetamide
CID 66385636
N-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide
CID 66386649
1-(2-pyrrolidin-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732323

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]acetamide (CID 115732622) is N-[2-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNCc1cncs1.
What is the InChIKey of N-[2-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]acetamide?
The InChIKey is PQXPNDLUUQMOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-10(17)16-13-5-3-2-4-11(13)6-14-7-12-8-15-9-18-12/h2-5,8-9,14H,6-7H2,1H3,(H,16,17).
What are the key properties of N-[2-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]acetamide?
N-[2-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]acetamide has a molecular weight of 261.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-thiazol-5-ylmethylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 115732622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).