1-hydroxy-3-(1-thiophen-3-ylprop-1-enyl)urea

C8H10N2O2S — CID 173353718

IUPAC1-hydroxy-3-(1-thiophen-3-ylprop-1-enyl)urea
SMILESCC=C(NC(=O)NO)c1ccsc1
InChIInChI=1S/C8H10N2O2S/c1-2-7(9-8(11)10-12)6-3-4-13-5-6/h2-5,12H,1H3,(H2,9,10,11)
InChIKeyYNTCRWFUVFCNSN-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.80
Rot. Bonds2

About 1-hydroxy-3-(1-thiophen-3-ylprop-1-enyl)urea

1-hydroxy-3-(1-thiophen-3-ylprop-1-enyl)urea (PubChem CID 173353718) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 1-hydroxy-3-(1-thiophen-3-ylprop-1-enyl)urea.

Molecular Properties

Compound Name1-hydroxy-3-(1-thiophen-3-ylprop-1-enyl)urea
PubChem CID173353718
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name1-hydroxy-3-(1-thiophen-3-ylprop-1-enyl)urea
SMILESCC=C(NC(=O)NO)c1ccsc1
InChIInChI=1S/C8H10N2O2S/c1-2-7(9-8(11)10-12)6-3-4-13-5-6/h2-5,12H,1H3,(H2,9,10,11)
InChIKeyYNTCRWFUVFCNSN-UHFFFAOYSA-N
XLogP1.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-thiophen-3-ylbut-2-enal
CID 173416997
(2E)-2-ethylidene-1-thiophen-3-ylpentan-1-one
CID 125485859
[amino(thiophen-3-yl)methylidene]azanium
CID 6932604
1-hydroxy-3-(1-thiophen-3-ylethyl)urea
CID 23821299
3-(1-chloro-2-iodoethenyl)thiophene
CID 175317820
2-methyl-1-thiophen-3-ylprop-2-en-1-one
CID 69300570
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
(E)-3-(ethylamino)-1-thiophen-3-ylprop-2-en-1-one
CID 23591192
(2S)-2-amino-1-thiophen-3-ylbutan-1-one
CID 165468117
(4-propan-2-ylphenyl)-thiophen-3-ylmethanone
CID 43625096
3-(dimethylamino)-1-thiophen-3-ylbut-2-en-1-one
CID 2764349
N'-(2-hydroxy-2-methylpropanoyl)thiophene-3-carbohydrazide
CID 140662618

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(1-thiophen-3-ylprop-1-enyl)urea?
The IUPAC name of 1-hydroxy-3-(1-thiophen-3-ylprop-1-enyl)urea (CID 173353718) is 1-hydroxy-3-(1-thiophen-3-ylprop-1-enyl)urea.
What is the SMILES notation for 1-hydroxy-3-(1-thiophen-3-ylprop-1-enyl)urea?
The canonical SMILES for 1-hydroxy-3-(1-thiophen-3-ylprop-1-enyl)urea is CC=C(NC(=O)NO)c1ccsc1.
What is the InChIKey of 1-hydroxy-3-(1-thiophen-3-ylprop-1-enyl)urea?
The InChIKey is YNTCRWFUVFCNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-2-7(9-8(11)10-12)6-3-4-13-5-6/h2-5,12H,1H3,(H2,9,10,11).
What are the key properties of 1-hydroxy-3-(1-thiophen-3-ylprop-1-enyl)urea?
1-hydroxy-3-(1-thiophen-3-ylprop-1-enyl)urea has a molecular weight of 198.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(1-thiophen-3-ylprop-1-enyl)urea is sourced from PubChem (CID 173353718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).