1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea

C13H18N4O2S — CID 51455340

IUPAC1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea
SMILESO=C(NNC(=S)NC[C@H]1CCCO1)Nc1ccccc1
InChIInChI=1S/C13H18N4O2S/c18-12(15-10-5-2-1-3-6-10)16-17-13(20)14-9-11-7-4-8-19-11/h1-3,5-6,11H,4,7-9H2,(H2,14,17,20)(H2,15,16,18)/t11-/m1/s1
InChIKeyBMLUQGZGKXEZNG-LLVKDONJSA-N
MW294.38 g/mol
LogP1.37
Rot. Bonds3

About 1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea

1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea (PubChem CID 51455340) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea.

Molecular Properties

Compound Name1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea
PubChem CID51455340
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea
SMILESO=C(NNC(=S)NC[C@H]1CCCO1)Nc1ccccc1
InChIInChI=1S/C13H18N4O2S/c18-12(15-10-5-2-1-3-6-10)16-17-13(20)14-9-11-7-4-8-19-11/h1-3,5-6,11H,4,7-9H2,(H2,14,17,20)(H2,15,16,18)/t11-/m1/s1
InChIKeyBMLUQGZGKXEZNG-LLVKDONJSA-N
XLogP1.37
TPSA74.42 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(2R)-oxolan-2-yl]methyl]-3-[(2-phenylacetyl)amino]thiourea
CID 27038823
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
1-benzyl-3-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]thiourea
CID 2448710
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
4-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]benzoic acid
CID 1133426
1-(naphthalen-2-ylcarbamothioylamino)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 97018071
1-[(2-chlorobenzoyl)amino]-3-(oxolan-2-ylmethyl)thiourea
CID 47102501
1-(2-benzoylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 51390207
1-(2-benzoylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 51390206
1-[[(2R)-oxolan-2-yl]methyl]-3-(4-phenylmethoxyphenyl)thiourea
CID 8022384
1-(oxolan-2-ylmethyl)-3-[(5-phenylpyrazolidine-3-carbonyl)amino]thiourea
CID 52991456
1-(1-benzothiophene-3-carbonylamino)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 27518162

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea?
The IUPAC name of 1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea (CID 51455340) is 1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea.
What is the SMILES notation for 1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea?
The canonical SMILES for 1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea is O=C(NNC(=S)NC[C@H]1CCCO1)Nc1ccccc1.
What is the InChIKey of 1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea?
The InChIKey is BMLUQGZGKXEZNG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N4O2S/c18-12(15-10-5-2-1-3-6-10)16-17-13(20)14-9-11-7-4-8-19-11/h1-3,5-6,11H,4,7-9H2,(H2,14,17,20)(H2,15,16,18)/t11-/m1/s1.
What are the key properties of 1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea?
1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea has a molecular weight of 294.38 g/mol, XLogP of 1.37, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-3-phenylurea is sourced from PubChem (CID 51455340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).