N-[3-(2-imino-1,3-thiazol-3-yl)phenyl]acetamide

C11H11N3OS — CID 21445653

IUPACN-[3-(2-imino-1,3-thiazol-3-yl)phenyl]acetamide
SMILES[H]/N=c1\sccn1-c1cccc(NC(C)=O)c1
InChIInChI=1S/C11H11N3OS/c1-8(15)13-9-3-2-4-10(7-9)14-5-6-16-11(14)12/h2-7,12H,1H3,(H,13,15)/b12-11-
InChIKeyNHHGAPCBMLCBRT-QXMHVHEDSA-N
MW233.30 g/mol
LogP1.98
Rot. Bonds2

About N-[3-(2-imino-1,3-thiazol-3-yl)phenyl]acetamide

N-[3-(2-imino-1,3-thiazol-3-yl)phenyl]acetamide (PubChem CID 21445653) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-[3-(2-imino-1,3-thiazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-imino-1,3-thiazol-3-yl)phenyl]acetamide
PubChem CID21445653
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-[3-(2-imino-1,3-thiazol-3-yl)phenyl]acetamide
SMILES[H]/N=c1\sccn1-c1cccc(NC(C)=O)c1
InChIInChI=1S/C11H11N3OS/c1-8(15)13-9-3-2-4-10(7-9)14-5-6-16-11(14)12/h2-7,12H,1H3,(H,13,15)/b12-11-
InChIKeyNHHGAPCBMLCBRT-QXMHVHEDSA-N
XLogP1.98
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[3-(dimethylsulfamoyl)phenyl]-2-(2-imino-1,3-thiazol-3-yl)acetamide
CID 8716246
N-(3-methylphenyl)acetamide
CID 10843
N-[3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]phenyl]acetamide
CID 44544031
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CID 139966900
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
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N-[3-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)phenyl]acetamide
CID 115331463
N-[3-[5-(2-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide
CID 58016631
N-[3-(2-hydroxy-5-iodo-2H-pyridin-1-yl)phenyl]acetamide
CID 141254672
N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide
CID 820347
3-(3-acetamidophenyl)triazole-4-carboxylic acid
CID 82201554
N-[3-[5-(4-cyanophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide
CID 44544152

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-imino-1,3-thiazol-3-yl)phenyl]acetamide?
The IUPAC name of N-[3-(2-imino-1,3-thiazol-3-yl)phenyl]acetamide (CID 21445653) is N-[3-(2-imino-1,3-thiazol-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-imino-1,3-thiazol-3-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(2-imino-1,3-thiazol-3-yl)phenyl]acetamide is [H]/N=c1\sccn1-c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-(2-imino-1,3-thiazol-3-yl)phenyl]acetamide?
The InChIKey is NHHGAPCBMLCBRT-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-8(15)13-9-3-2-4-10(7-9)14-5-6-16-11(14)12/h2-7,12H,1H3,(H,13,15)/b12-11-.
What are the key properties of N-[3-(2-imino-1,3-thiazol-3-yl)phenyl]acetamide?
N-[3-(2-imino-1,3-thiazol-3-yl)phenyl]acetamide has a molecular weight of 233.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-imino-1,3-thiazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 21445653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).