1-phenyl-3-(thiadiazol-5-yl)urea;sulfane

C9H10N4OS2 — CID 90028590

IUPAC1-phenyl-3-(thiadiazol-5-yl)urea;sulfane
SMILESO=C(Nc1ccccc1)Nc1cnns1.S
InChIInChI=1S/C9H8N4OS.H2S/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7;/h1-6H,(H2,11,12,14);1H2
InChIKeyXOOIJFJVPPZBPZ-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.29
Rot. Bonds2

About 1-phenyl-3-(thiadiazol-5-yl)urea;sulfane

1-phenyl-3-(thiadiazol-5-yl)urea;sulfane (PubChem CID 90028590) has the molecular formula C9H10N4OS2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-phenyl-3-(thiadiazol-5-yl)urea;sulfane.

Molecular Properties

Compound Name1-phenyl-3-(thiadiazol-5-yl)urea;sulfane
PubChem CID90028590
Molecular FormulaC9H10N4OS2
Molecular Weight254.34 g/mol
Exact Mass254.03
IUPAC Name1-phenyl-3-(thiadiazol-5-yl)urea;sulfane
SMILESO=C(Nc1ccccc1)Nc1cnns1.S
InChIInChI=1S/C9H8N4OS.H2S/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7;/h1-6H,(H2,11,12,14);1H2
InChIKeyXOOIJFJVPPZBPZ-UHFFFAOYSA-N
XLogP2.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea
CID 11379409
1-(3-fluorophenyl)-3-(thiadiazol-5-yl)urea
CID 11195761
3-[4-(thiadiazol-5-ylcarbamoylamino)phenyl]propanoic acid
CID 114913273
(E)-3-[4-(thiadiazol-5-ylcarbamoylamino)phenyl]prop-2-enoic acid
CID 114913075
1-(2-ethoxyphenyl)-3-(thiadiazol-5-yl)urea
CID 99796134
2-hydrazinyl-N-(thiadiazol-5-yl)benzamide
CID 114914439
1-phenyl-3-[N-phenyl-C-(thiadiazol-5-yl)carbonimidoyl]urea
CID 135450794
(2S)-2-(thiadiazol-5-ylcarbamoylamino)propanoic acid
CID 104983000
1-hydrazinyl-N-(thiadiazol-5-yl)isoquinoline-4-carboxamide
CID 106774508
1-(2-tert-butyl-1,3-thiazol-5-yl)-3-phenylurea
CID 122693163
3-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide
CID 114912815
3-amino-N-(thiadiazol-5-yl)benzamide
CID 114911458

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(thiadiazol-5-yl)urea;sulfane?
The IUPAC name of 1-phenyl-3-(thiadiazol-5-yl)urea;sulfane (CID 90028590) is 1-phenyl-3-(thiadiazol-5-yl)urea;sulfane.
What is the SMILES notation for 1-phenyl-3-(thiadiazol-5-yl)urea;sulfane?
The canonical SMILES for 1-phenyl-3-(thiadiazol-5-yl)urea;sulfane is O=C(Nc1ccccc1)Nc1cnns1.S.
What is the InChIKey of 1-phenyl-3-(thiadiazol-5-yl)urea;sulfane?
The InChIKey is XOOIJFJVPPZBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS.H2S/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7;/h1-6H,(H2,11,12,14);1H2.
What are the key properties of 1-phenyl-3-(thiadiazol-5-yl)urea;sulfane?
1-phenyl-3-(thiadiazol-5-yl)urea;sulfane has a molecular weight of 254.34 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(thiadiazol-5-yl)urea;sulfane is sourced from PubChem (CID 90028590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).