5-amino-2-phenyl-1,3-oxazole-4-carbothioamide

C10H9N3OS — CID 2741465

IUPAC5-amino-2-phenyl-1,3-oxazole-4-carbothioamide
SMILESNC(=S)c1nc(-c2ccccc2)oc1N
InChIInChI=1S/C10H9N3OS/c11-8-7(9(12)15)13-10(14-8)6-4-2-1-3-5-6/h1-5H,11H2,(H2,12,15)
InChIKeyBQZMBDROZJKJJV-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.56
Rot. Bonds2

About 5-amino-2-phenyl-1,3-oxazole-4-carbothioamide

5-amino-2-phenyl-1,3-oxazole-4-carbothioamide (PubChem CID 2741465) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 5-amino-2-phenyl-1,3-oxazole-4-carbothioamide.

Molecular Properties

Compound Name5-amino-2-phenyl-1,3-oxazole-4-carbothioamide
PubChem CID2741465
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name5-amino-2-phenyl-1,3-oxazole-4-carbothioamide
SMILESNC(=S)c1nc(-c2ccccc2)oc1N
InChIInChI=1S/C10H9N3OS/c11-8-7(9(12)15)13-10(14-8)6-4-2-1-3-5-6/h1-5H,11H2,(H2,12,15)
InChIKeyBQZMBDROZJKJJV-UHFFFAOYSA-N
XLogP1.56
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.56
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

4-chloro-2-phenyl-1,3-oxazol-5-amine
CID 69335141
5-phenyl-1,2,4-oxadiazole-3-carbothioamide
CID 130016702
5-(carbamoylamino)-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 69484177
5-amino-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 11658697
5-amino-2-phenyl-1,3-thiazole-4-carbothioamide
CID 125494165
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
N-(diaminomethylidene)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 25103539
5-benzamido-2-phenyl-1,3-oxazole-4-carboxamide
CID 90949372
2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 174598172
5-chloro-2-phenyl-1,3-oxazol-4-ol
CID 141006928
5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 62586319
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-phenyl-1,3-oxazole-4-carbothioamide?
The IUPAC name of 5-amino-2-phenyl-1,3-oxazole-4-carbothioamide (CID 2741465) is 5-amino-2-phenyl-1,3-oxazole-4-carbothioamide.
What is the SMILES notation for 5-amino-2-phenyl-1,3-oxazole-4-carbothioamide?
The canonical SMILES for 5-amino-2-phenyl-1,3-oxazole-4-carbothioamide is NC(=S)c1nc(-c2ccccc2)oc1N.
What is the InChIKey of 5-amino-2-phenyl-1,3-oxazole-4-carbothioamide?
The InChIKey is BQZMBDROZJKJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c11-8-7(9(12)15)13-10(14-8)6-4-2-1-3-5-6/h1-5H,11H2,(H2,12,15).
What are the key properties of 5-amino-2-phenyl-1,3-oxazole-4-carbothioamide?
5-amino-2-phenyl-1,3-oxazole-4-carbothioamide has a molecular weight of 219.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-phenyl-1,3-oxazole-4-carbothioamide is sourced from PubChem (CID 2741465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).