N-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide

C12H13N3OS — CID 63655785

IUPACN-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2nccs2)cc1
InChIInChI=1S/C12H13N3OS/c1-9(16)15-11-4-2-10(3-5-11)14-8-12-13-6-7-17-12/h2-7,14H,8H2,1H3,(H,15,16)
InChIKeyFACFPXUNFVEBCL-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.71
Rot. Bonds4

About N-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide

N-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide (PubChem CID 63655785) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide
PubChem CID63655785
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2nccs2)cc1
InChIInChI=1S/C12H13N3OS/c1-9(16)15-11-4-2-10(3-5-11)14-8-12-13-6-7-17-12/h2-7,14H,8H2,1H3,(H,15,16)
InChIKeyFACFPXUNFVEBCL-UHFFFAOYSA-N
XLogP2.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110445281
4-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 62231543
N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine
CID 61285050
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
N-[4-[1-(1,3-thiazol-2-ylmethyl)imidazol-2-yl]phenyl]acetamide
CID 70732819
N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide
CID 47148362
4-propoxy-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63656225
1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-ylmethyl)urea
CID 110446996
methyl 2-fluoro-5-(1,3-thiazol-2-ylmethylamino)benzoate
CID 63655799
6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine
CID 63655578
2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
CID 61283842
4-(1,3-thiazol-2-ylmethylamino)benzenecarboximidamide
CID 70094072

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide?
The IUPAC name of N-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide (CID 63655785) is N-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide is CC(=O)Nc1ccc(NCc2nccs2)cc1.
What is the InChIKey of N-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide?
The InChIKey is FACFPXUNFVEBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-9(16)15-11-4-2-10(3-5-11)14-8-12-13-6-7-17-12/h2-7,14H,8H2,1H3,(H,15,16).
What are the key properties of N-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide?
N-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide has a molecular weight of 247.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 63655785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).