N-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide

C13H15N3OS — CID 61171799

IUPACN-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2cscn2)c1
InChIInChI=1S/C13H15N3OS/c1-9-3-4-11(16-10(2)17)5-13(9)14-6-12-7-18-8-15-12/h3-5,7-8,14H,6H2,1-2H3,(H,16,17)
InChIKeyVHKPBVBGCRXSME-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.02
Rot. Bonds4

About N-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide

N-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide (PubChem CID 61171799) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
PubChem CID61171799
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2cscn2)c1
InChIInChI=1S/C13H15N3OS/c1-9-3-4-11(16-10(2)17)5-13(9)14-6-12-7-18-8-15-12/h3-5,7-8,14H,6H2,1-2H3,(H,16,17)
InChIKeyVHKPBVBGCRXSME-UHFFFAOYSA-N
XLogP3.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
CID 61170227
N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 43739569
4-methyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)benzoic acid
CID 63825750
2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60683495
ethyl N-[4-(1,3-thiazol-4-ylmethylamino)phenyl]carbamate
CID 61169060
N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 115876077
N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide
CID 43739641
N-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide
CID 55060453
N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 63324854
(2S)-2-methoxy-N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]propanamide
CID 129380466
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide
CID 43739581

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide (CID 61171799) is N-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide is CC(=O)Nc1ccc(C)c(NCc2cscn2)c1.
What is the InChIKey of N-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide?
The InChIKey is VHKPBVBGCRXSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-3-4-11(16-10(2)17)5-13(9)14-6-12-7-18-8-15-12/h3-5,7-8,14H,6H2,1-2H3,(H,16,17).
What are the key properties of N-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide?
N-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide has a molecular weight of 261.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 61171799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).