1-hydroxy-1-(thiophen-2-ylmethyl)urea

C6H8N2O2S — CID 19780482

IUPAC1-hydroxy-1-(thiophen-2-ylmethyl)urea
SMILESNC(=O)N(O)Cc1cccs1
InChIInChI=1S/C6H8N2O2S/c7-6(9)8(10)4-5-2-1-3-11-5/h1-3,10H,4H2,(H2,7,9)
InChIKeyAJNJDKARVWUNCJ-UHFFFAOYSA-N
MW172.21 g/mol
LogP1.02
Rot. Bonds2

About 1-hydroxy-1-(thiophen-2-ylmethyl)urea

1-hydroxy-1-(thiophen-2-ylmethyl)urea (PubChem CID 19780482) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 1-hydroxy-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-hydroxy-1-(thiophen-2-ylmethyl)urea
PubChem CID19780482
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name1-hydroxy-1-(thiophen-2-ylmethyl)urea
SMILESNC(=O)N(O)Cc1cccs1
InChIInChI=1S/C6H8N2O2S/c7-6(9)8(10)4-5-2-1-3-11-5/h1-3,10H,4H2,(H2,7,9)
InChIKeyAJNJDKARVWUNCJ-UHFFFAOYSA-N
XLogP1.02
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
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

((Thiophen-2-yl)methyl)urea
CID 2799110
(2-(Thiophen-2-yl)ethyl)urea
CID 4962323
N-hydroxy-N-{[3-(phenylthio)thien-2-yl]methyl}urea
CID 10707895
N-hydroxy-N-[1-(5-methylthien-2-yl)ethyl]urea
CID 10798098
N-[1-(2,2''-bithien-5-yl)ethyl]-N-hydroxyurea
CID 10754395
N-hydroxy-N-({5-[(E)-2-thien-2-ylvinyl]thien-2-yl}methyl)urea
CID 44302302
N-hydroxy-N-(1-thien-3-ylethyl)urea
CID 10487791
N-hydroxy-N-[(3-methylthien-2-yl)methyl]urea
CID 10511759
N-hydroxy-N-{[4-(phenylthio)thien-2-yl]methyl}urea
CID 10564723
N-[1-(2,5-dimethylthien-3-yl)ethyl]-N-hydroxyurea
CID 10680149
N-hydroxy-N-(1-thien-2-ylethyl)urea
CID 10726208
N-hydroxy-N-[1-(3-methylthien-2-yl)ethyl]urea
CID 10821903

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-hydroxy-1-(thiophen-2-ylmethyl)urea (CID 19780482) is 1-hydroxy-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-hydroxy-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-hydroxy-1-(thiophen-2-ylmethyl)urea is NC(=O)N(O)Cc1cccs1.
What is the InChIKey of 1-hydroxy-1-(thiophen-2-ylmethyl)urea?
The InChIKey is AJNJDKARVWUNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c7-6(9)8(10)4-5-2-1-3-11-5/h1-3,10H,4H2,(H2,7,9).
What are the key properties of 1-hydroxy-1-(thiophen-2-ylmethyl)urea?
1-hydroxy-1-(thiophen-2-ylmethyl)urea has a molecular weight of 172.21 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 19780482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).