5-(1,2-oxazol-5-yl)thiophene-2-carbothioamide

C8H6N2OS2 — CID 18525659

IUPAC5-(1,2-oxazol-5-yl)thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(-c2ccno2)s1
InChIInChI=1S/C8H6N2OS2/c9-8(12)7-2-1-6(13-7)5-3-4-10-11-5/h1-4H,(H2,9,12)
InChIKeyJPOGKMSUFXOSHM-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.04
Rot. Bonds2

About 5-(1,2-oxazol-5-yl)thiophene-2-carbothioamide

5-(1,2-oxazol-5-yl)thiophene-2-carbothioamide (PubChem CID 18525659) has the molecular formula C8H6N2OS2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-(1,2-oxazol-5-yl)thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-(1,2-oxazol-5-yl)thiophene-2-carbothioamide
PubChem CID18525659
Molecular FormulaC8H6N2OS2
Molecular Weight210.28 g/mol
Exact Mass209.99
IUPAC Name5-(1,2-oxazol-5-yl)thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(-c2ccno2)s1
InChIInChI=1S/C8H6N2OS2/c9-8(12)7-2-1-6(13-7)5-3-4-10-11-5/h1-4H,(H2,9,12)
InChIKeyJPOGKMSUFXOSHM-UHFFFAOYSA-N
XLogP2.04
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.04
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

5-Thiophen-2-YL-isoxazole
CID 12049986
1-{[5-(1,2-Oxazol-5-yl)thiophen-2-yl]sulfonyl}piperidine
CID 1471911
5-(5-Thiophen-2-ylthiophen-2-yl)-1,2-oxazole
CID 18525655
5-[5-(Pyrrolidin-1-ylsulfonyl)thiophen-2-yl]-1,2-oxazole
CID 21039664
5-(5-Methylthiophen-2-yl)isoxazole
CID 45099284
2-Methyl-5-(1,2-oxazol-5-YL)-N-[(thiophen-2-YL)methyl]thiophene-3-sulfonamide
CID 53079512
1-[2-Methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonyl]piperidine
CID 53079539
5-(1,2-Oxazol-5-YL)-N-(propan-2-YL)thiophene-2-sulfonamide
CID 53111967
5-(Isoxazol-5-YL)thiophene-2-sulphonamide
CID 18526374
N-(2,5-Difluorophenyl)-2-methyl-5-(1,2-oxazol-5-YL)thiophene-3-sulfonamide
CID 53079431
N-(2,4-Difluorophenyl)-2-methyl-5-(1,2-oxazol-5-YL)thiophene-3-sulfonamide
CID 53079453
N-(2-Fluorophenyl)-2-methyl-5-(1,2-oxazol-5-YL)thiophene-3-sulfonamide
CID 53079461

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-oxazol-5-yl)thiophene-2-carbothioamide?
The IUPAC name of 5-(1,2-oxazol-5-yl)thiophene-2-carbothioamide (CID 18525659) is 5-(1,2-oxazol-5-yl)thiophene-2-carbothioamide.
What is the SMILES notation for 5-(1,2-oxazol-5-yl)thiophene-2-carbothioamide?
The canonical SMILES for 5-(1,2-oxazol-5-yl)thiophene-2-carbothioamide is NC(=S)c1ccc(-c2ccno2)s1.
What is the InChIKey of 5-(1,2-oxazol-5-yl)thiophene-2-carbothioamide?
The InChIKey is JPOGKMSUFXOSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS2/c9-8(12)7-2-1-6(13-7)5-3-4-10-11-5/h1-4H,(H2,9,12).
What are the key properties of 5-(1,2-oxazol-5-yl)thiophene-2-carbothioamide?
5-(1,2-oxazol-5-yl)thiophene-2-carbothioamide has a molecular weight of 210.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-oxazol-5-yl)thiophene-2-carbothioamide is sourced from PubChem (CID 18525659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).