1-hydroxy-1-(3-thiophen-3-ylpropyl)urea

C8H12N2O2S — CID 19780514

IUPAC1-hydroxy-1-(3-thiophen-3-ylpropyl)urea
SMILESNC(=O)N(O)CCCc1ccsc1
InChIInChI=1S/C8H12N2O2S/c9-8(11)10(12)4-1-2-7-3-5-13-6-7/h3,5-6,12H,1-2,4H2,(H2,9,11)
InChIKeyIAAYCRSHRKOIKU-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.45
Rot. Bonds4

About 1-hydroxy-1-(3-thiophen-3-ylpropyl)urea

1-hydroxy-1-(3-thiophen-3-ylpropyl)urea (PubChem CID 19780514) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-hydroxy-1-(3-thiophen-3-ylpropyl)urea.

Molecular Properties

Compound Name1-hydroxy-1-(3-thiophen-3-ylpropyl)urea
PubChem CID19780514
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name1-hydroxy-1-(3-thiophen-3-ylpropyl)urea
SMILESNC(=O)N(O)CCCc1ccsc1
InChIInChI=1S/C8H12N2O2S/c9-8(11)10(12)4-1-2-7-3-5-13-6-7/h3,5-6,12H,1-2,4H2,(H2,9,11)
InChIKeyIAAYCRSHRKOIKU-UHFFFAOYSA-N
XLogP1.45
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.45
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

N-hydroxy-N-(1-thien-3-ylethyl)urea
CID 10487791
N-hydroxy-N-[(3-methylthien-2-yl)methyl]urea
CID 10511759
N-hydroxy-N-[1-(3-methylthien-2-yl)ethyl]urea
CID 10821903
1-methyl-1-pentan-3-yl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 94755974
N-[2-(Thiophen-3-yl)ethyl]urea
CID 13676070
1-hydroxy-1-[[(1R,2R)-2-thiophen-2-ylcyclopropyl]methyl]urea
CID 18646340
1-hydroxy-1-[[(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropyl]methyl]urea
CID 18646366
1-hydroxy-1-[[(1R,2R)-2-thiophen-3-ylcyclopropyl]methyl]urea
CID 18646368
1-Hydroxy-1-[2-(5-methylthiophen-2-yl)propyl]urea
CID 19780434
1-Hydroxy-1-(2-thiophen-2-ylpropyl)urea
CID 19780438
1,3-Dihydroxy-1-methyl-3-(1-thiophen-3-ylethyl)urea
CID 19780487
1-Hydroxy-1-(2-thiophen-3-ylpropyl)urea
CID 19780515

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-(3-thiophen-3-ylpropyl)urea?
The IUPAC name of 1-hydroxy-1-(3-thiophen-3-ylpropyl)urea (CID 19780514) is 1-hydroxy-1-(3-thiophen-3-ylpropyl)urea.
What is the SMILES notation for 1-hydroxy-1-(3-thiophen-3-ylpropyl)urea?
The canonical SMILES for 1-hydroxy-1-(3-thiophen-3-ylpropyl)urea is NC(=O)N(O)CCCc1ccsc1.
What is the InChIKey of 1-hydroxy-1-(3-thiophen-3-ylpropyl)urea?
The InChIKey is IAAYCRSHRKOIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c9-8(11)10(12)4-1-2-7-3-5-13-6-7/h3,5-6,12H,1-2,4H2,(H2,9,11).
What are the key properties of 1-hydroxy-1-(3-thiophen-3-ylpropyl)urea?
1-hydroxy-1-(3-thiophen-3-ylpropyl)urea has a molecular weight of 200.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-(3-thiophen-3-ylpropyl)urea is sourced from PubChem (CID 19780514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).