2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide

C19H19N3OS — CID 110450447

IUPAC2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cc1csc(-c2ccccc2CN)n1)c1ccccc1
InChIInChI=1S/C19H19N3OS/c1-22(16-8-3-2-4-9-16)18(23)11-15-13-24-19(21-15)17-10-6-5-7-14(17)12-20/h2-10,13H,11-12,20H2,1H3
InChIKeyVDOBECMVPWCDJV-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.47
Rot. Bonds5

About 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide

2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide (PubChem CID 110450447) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide
PubChem CID110450447
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cc1csc(-c2ccccc2CN)n1)c1ccccc1
InChIInChI=1S/C19H19N3OS/c1-22(16-8-3-2-4-9-16)18(23)11-15-13-24-19(21-15)17-10-6-5-7-14(17)12-20/h2-10,13H,11-12,20H2,1H3
InChIKeyVDOBECMVPWCDJV-UHFFFAOYSA-N
XLogP3.47
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-pyridin-2-ylacetamide
CID 110450350
2-methyl-2-[[4-[2-(N-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanoic acid
CID 67400592
[2-(N-methylanilino)-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
CID 8609749
2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548145
2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(3-methoxypropyl)acetamide
CID 110450334
2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-(2-fluorophenyl)acetamide
CID 110450485
2-[2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 39159599
[2-(4-phenyl-1,3-thiazol-2-yl)phenyl]methanamine;dihydrochloride
CID 20983786
ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide
CID 18209419
N-(3-aminopropyl)-N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120648388
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylacetamide
CID 16878802

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide (CID 110450447) is 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide is CN(C(=O)Cc1csc(-c2ccccc2CN)n1)c1ccccc1.
What is the InChIKey of 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide?
The InChIKey is VDOBECMVPWCDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-22(16-8-3-2-4-9-16)18(23)11-15-13-24-19(21-15)17-10-6-5-7-14(17)12-20/h2-10,13H,11-12,20H2,1H3.
What are the key properties of 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide?
2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide has a molecular weight of 337.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 110450447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).