N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide

C14H15N3O2S — CID 51258130

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1nc(CC(N)=O)cs1
InChIInChI=1S/C14H15N3O2S/c1-9-4-2-3-5-10(9)6-13(19)17-14-16-11(8-20-14)7-12(15)18/h2-5,8H,6-7H2,1H3,(H2,15,18)(H,16,17,19)
InChIKeyVCXMTCWBWLPXLZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.66
Rot. Bonds5

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide (PubChem CID 51258130) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
PubChem CID51258130
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1nc(CC(N)=O)cs1
InChIInChI=1S/C14H15N3O2S/c1-9-4-2-3-5-10(9)6-13(19)17-14-16-11(8-20-14)7-12(15)18/h2-5,8H,6-7H2,1H3,(H2,15,18)(H,16,17,19)
InChIKeyVCXMTCWBWLPXLZ-UHFFFAOYSA-N
XLogP1.66
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51321385
ethyl 2-[2-[[2-(2-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 51185483
ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
CID 16883950
2-(2-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 46680251
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylanilino)benzamide
CID 51258065
2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 110386251
2-[2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 51258049
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide
CID 24630482
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide
CID 17443412
2-[2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 10916868
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 110718046
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 17449882

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide (CID 51258130) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)Nc1nc(CC(N)=O)cs1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide?
The InChIKey is VCXMTCWBWLPXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-4-2-3-5-10(9)6-13(19)17-14-16-11(8-20-14)7-12(15)18/h2-5,8H,6-7H2,1H3,(H2,15,18)(H,16,17,19).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide has a molecular weight of 289.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 51258130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).