2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide

C14H17N3OS — CID 119891864

IUPAC2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1nc(C)c(CNC(=O)CNc2ccccc2)s1
InChIInChI=1S/C14H17N3OS/c1-10-13(19-11(2)17-10)8-16-14(18)9-15-12-6-4-3-5-7-12/h3-7,15H,8-9H2,1-2H3,(H,16,18)
InChIKeyNRYKBFALEKOJJI-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.49
Rot. Bonds5

About 2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide

2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 119891864) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID119891864
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCc1nc(C)c(CNC(=O)CNc2ccccc2)s1
InChIInChI=1S/C14H17N3OS/c1-10-13(19-11(2)17-10)8-16-14(18)9-15-12-6-4-3-5-7-12/h3-7,15H,8-9H2,1-2H3,(H,16,18)
InChIKeyNRYKBFALEKOJJI-UHFFFAOYSA-N
XLogP2.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 121122681
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-oxo-4-phenylbutanamide
CID 121122695
2-anilino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63281191
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120597144
3-(benzenesulfonyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
CID 121122775
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)acetamide
CID 121122800
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121122901
2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride
CID 119772200
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 121122799
2-anilino-N-[(5-ethylthiophen-2-yl)methyl]acetamide;hydrochloride
CID 119727871
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoyl]benzoic acid
CID 75482713
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119891833

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide (CID 119891864) is 2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide is Cc1nc(C)c(CNC(=O)CNc2ccccc2)s1.
What is the InChIKey of 2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is NRYKBFALEKOJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-13(19-11(2)17-10)8-16-14(18)9-15-12-6-4-3-5-7-12/h3-7,15H,8-9H2,1-2H3,(H,16,18).
What are the key properties of 2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide?
2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 275.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 119891864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).