3-phenyl-1,2-oxazole;quinoline-5-carbothioamide

C19H15N3OS — CID 174821823

IUPAC3-phenyl-1,2-oxazole;quinoline-5-carbothioamide
SMILESNC(=S)c1cccc2ncccc12.c1ccc(-c2ccon2)cc1
InChIInChI=1S/C10H8N2S.C9H7NO/c11-10(13)8-3-1-5-9-7(8)4-2-6-12-9;1-2-4-8(5-3-1)9-6-7-11-10-9/h1-6H,(H2,11,13);1-7H
InChIKeyOJKRVQMDDICWLJ-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.21
Rot. Bonds2

About 3-phenyl-1,2-oxazole;quinoline-5-carbothioamide

3-phenyl-1,2-oxazole;quinoline-5-carbothioamide (PubChem CID 174821823) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 3-phenyl-1,2-oxazole;quinoline-5-carbothioamide.

Molecular Properties

Compound Name3-phenyl-1,2-oxazole;quinoline-5-carbothioamide
PubChem CID174821823
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name3-phenyl-1,2-oxazole;quinoline-5-carbothioamide
SMILESNC(=S)c1cccc2ncccc12.c1ccc(-c2ccon2)cc1
InChIInChI=1S/C10H8N2S.C9H7NO/c11-10(13)8-3-1-5-9-7(8)4-2-6-12-9;1-2-4-8(5-3-1)9-6-7-11-10-9/h1-6H,(H2,11,13);1-7H
InChIKeyOJKRVQMDDICWLJ-UHFFFAOYSA-N
XLogP4.21
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carbamic acid;3-phenyl-1,2-oxazole
CID 175520433
N-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide
CID 79497381
N-(2-amino-2-oxoethoxy)quinoline-5-carboxamide
CID 112550935
3-amino-2-phenyl-1-quinolin-5-ylpropan-1-one
CID 116567063
(2R)-2-amino-2-phenyl-1-quinolin-5-ylethanone
CID 104891139
acridine-1-carbothioamide
CID 154008733
CID 175088616
CID 175088616
quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 69438515
N-(5-phenyl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide
CID 134011955
oxolane;3-phenyl-1,2-oxazole
CID 174347006
quinolin-5-ylthiourea
CID 1471601
2,2-dimethyl-1-quinolin-5-ylpropan-1-one
CID 81220250

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,2-oxazole;quinoline-5-carbothioamide?
The IUPAC name of 3-phenyl-1,2-oxazole;quinoline-5-carbothioamide (CID 174821823) is 3-phenyl-1,2-oxazole;quinoline-5-carbothioamide.
What is the SMILES notation for 3-phenyl-1,2-oxazole;quinoline-5-carbothioamide?
The canonical SMILES for 3-phenyl-1,2-oxazole;quinoline-5-carbothioamide is NC(=S)c1cccc2ncccc12.c1ccc(-c2ccon2)cc1.
What is the InChIKey of 3-phenyl-1,2-oxazole;quinoline-5-carbothioamide?
The InChIKey is OJKRVQMDDICWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S.C9H7NO/c11-10(13)8-3-1-5-9-7(8)4-2-6-12-9;1-2-4-8(5-3-1)9-6-7-11-10-9/h1-6H,(H2,11,13);1-7H.
What are the key properties of 3-phenyl-1,2-oxazole;quinoline-5-carbothioamide?
3-phenyl-1,2-oxazole;quinoline-5-carbothioamide has a molecular weight of 333.42 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,2-oxazole;quinoline-5-carbothioamide is sourced from PubChem (CID 174821823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).