1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)-1-phenylurea

C10H9N3O2S2 — CID 91046069

IUPAC1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)-1-phenylurea
SMILESNC(=O)N(c1ccccc1)n1c(O)csc1=S
InChIInChI=1S/C10H9N3O2S2/c11-9(15)12(7-4-2-1-3-5-7)13-8(14)6-17-10(13)16/h1-6,14H,(H2,11,15)
InChIKeyBHWDPJWZQQTMTE-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.33
Rot. Bonds2

About 1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)-1-phenylurea

1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)-1-phenylurea (PubChem CID 91046069) has the molecular formula C10H9N3O2S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)-1-phenylurea.

Molecular Properties

Compound Name1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)-1-phenylurea
PubChem CID91046069
Molecular FormulaC10H9N3O2S2
Molecular Weight267.33 g/mol
Exact Mass267.01
IUPAC Name1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)-1-phenylurea
SMILESNC(=O)N(c1ccccc1)n1c(O)csc1=S
InChIInChI=1S/C10H9N3O2S2/c11-9(15)12(7-4-2-1-3-5-7)13-8(14)6-17-10(13)16/h1-6,14H,(H2,11,15)
InChIKeyBHWDPJWZQQTMTE-UHFFFAOYSA-N
XLogP2.33
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1-diphenylurea
CID 174849888
1-(N-carbamoylanilino)indole-2-carboxylic acid
CID 67622156
1-phenyl-1-(triazol-1-yl)urea
CID 23325971
1-phenyl-1-(1H-triazin-2-yl)urea
CID 67443765
butane;1,1-diphenylurea
CID 70397101
1-methylsulfonyl-1-phenylurea
CID 67458693
1-tert-butyl-1-phenylurea
CID 19102233
1-phenyl-1-(4-phenylphenyl)urea
CID 90698606
1-methyl-1-(N-methylanilino)urea
CID 154254582
mercury;(N-phenylanilino)urea
CID 175145706
3-[4-(carbazol-9-ylmethyl)phenyl]-4-hydroxy-1,3-thiazole-2-thione
CID 123717884
1-(4-formylphenyl)-1-phenylurea
CID 57262410

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)-1-phenylurea?
The IUPAC name of 1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)-1-phenylurea (CID 91046069) is 1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)-1-phenylurea.
What is the SMILES notation for 1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)-1-phenylurea?
The canonical SMILES for 1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)-1-phenylurea is NC(=O)N(c1ccccc1)n1c(O)csc1=S.
What is the InChIKey of 1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)-1-phenylurea?
The InChIKey is BHWDPJWZQQTMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S2/c11-9(15)12(7-4-2-1-3-5-7)13-8(14)6-17-10(13)16/h1-6,14H,(H2,11,15).
What are the key properties of 1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)-1-phenylurea?
1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)-1-phenylurea has a molecular weight of 267.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)-1-phenylurea is sourced from PubChem (CID 91046069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).