N-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide

C6H7N3O2S — CID 54041905

IUPACN-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide
SMILESNC(=S)NC(=O)Cc1ccon1
InChIInChI=1S/C6H7N3O2S/c7-6(12)8-5(10)3-4-1-2-11-9-4/h1-2H,3H2,(H3,7,8,10,12)
InChIKeyLMYBFRSEJJFLIB-UHFFFAOYSA-N
MW185.21 g/mol
LogP-0.42
Rot. Bonds2

About N-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide

N-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide (PubChem CID 54041905) has the molecular formula C6H7N3O2S and a molecular weight of 185.21 g/mol. Its IUPAC name is N-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide
PubChem CID54041905
Molecular FormulaC6H7N3O2S
Molecular Weight185.21 g/mol
Exact Mass185.03
IUPAC NameN-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide
SMILESNC(=S)NC(=O)Cc1ccon1
InChIInChI=1S/C6H7N3O2S/c7-6(12)8-5(10)3-4-1-2-11-9-4/h1-2H,3H2,(H3,7,8,10,12)
InChIKeyLMYBFRSEJJFLIB-UHFFFAOYSA-N
XLogP-0.42
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide
CID 131134519
N-(4-bromophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110859681
2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid
CID 115730815
N-(furan-2-ylmethyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110850493
N-(2-fluorophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110858552
N-(2-chlorophenyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110858749
1-[[2-(1,2-oxazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 115910187
(2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid
CID 119360778
N-(4-cyanoheptan-4-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 71848910
2-(2-amino-1,3-thiazol-4-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81170888
6-(1,2-oxazol-3-yl)hexanamide
CID 90927084
1-amino-3-(1,2-oxazol-3-ylmethyl)urea
CID 81177768

Frequently Asked Questions

What is the IUPAC name of N-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide (CID 54041905) is N-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide is NC(=S)NC(=O)Cc1ccon1.
What is the InChIKey of N-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide?
The InChIKey is LMYBFRSEJJFLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2S/c7-6(12)8-5(10)3-4-1-2-11-9-4/h1-2H,3H2,(H3,7,8,10,12).
What are the key properties of N-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide?
N-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide has a molecular weight of 185.21 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 54041905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).