1-[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-cyclopropylurea

C16H23N5OS — CID 75533054

IUPAC1-[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-cyclopropylurea
SMILESN/C(=N\Cc1cccc(NC(=O)NC2CC2)c1)N1CCSCC1
InChIInChI=1S/C16H23N5OS/c17-15(21-6-8-23-9-7-21)18-11-12-2-1-3-14(10-12)20-16(22)19-13-4-5-13/h1-3,10,13H,4-9,11H2,(H2,17,18)(H2,19,20,22)
InChIKeyAWFVKVBNKMGUMU-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.83
Rot. Bonds4

About 1-[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-cyclopropylurea

1-[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-cyclopropylurea (PubChem CID 75533054) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-cyclopropylurea
PubChem CID75533054
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name1-[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-cyclopropylurea
SMILESN/C(=N\Cc1cccc(NC(=O)NC2CC2)c1)N1CCSCC1
InChIInChI=1S/C16H23N5OS/c17-15(21-6-8-23-9-7-21)18-11-12-2-1-3-14(10-12)20-16(22)19-13-4-5-13/h1-3,10,13H,4-9,11H2,(H2,17,18)(H2,19,20,22)
InChIKeyAWFVKVBNKMGUMU-UHFFFAOYSA-N
XLogP1.83
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-cyclopropylurea 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

2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093912
N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide
CID 111075141
2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089441
N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044863
1-[[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;hydroiodide
CID 111803820
N'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111047747
N-[4-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111040394
N-[3-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydroiodide
CID 111076661
1-[4-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea;hydroiodide
CID 111067285
N-[3-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]phenyl]cyclobutanecarboxamide
CID 111046891
N-[3-[[[amino-(cyclopropylamino)methylidene]amino]methyl]phenyl]-4-methylbenzamide
CID 51131529
ethyl 4-[[N'-[[3-(butanoylamino)phenyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111061623

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-cyclopropylurea?
The IUPAC name of 1-[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-cyclopropylurea (CID 75533054) is 1-[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-cyclopropylurea?
The canonical SMILES for 1-[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-cyclopropylurea is N/C(=N\Cc1cccc(NC(=O)NC2CC2)c1)N1CCSCC1.
What is the InChIKey of 1-[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-cyclopropylurea?
The InChIKey is AWFVKVBNKMGUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c17-15(21-6-8-23-9-7-21)18-11-12-2-1-3-14(10-12)20-16(22)19-13-4-5-13/h1-3,10,13H,4-9,11H2,(H2,17,18)(H2,19,20,22).
What are the key properties of 1-[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-cyclopropylurea?
1-[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-cyclopropylurea has a molecular weight of 333.46 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-cyclopropylurea is sourced from PubChem (CID 75533054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).