1-amino-3-[(1R)-1-phenylethyl]thiourea

C9H13N3S — CID 28934678

IUPAC1-amino-3-[(1R)-1-phenylethyl]thiourea
SMILESC[C@@H](NC(=S)NN)c1ccccc1
InChIInChI=1S/C9H13N3S/c1-7(11-9(13)12-10)8-5-3-2-4-6-8/h2-7H,10H2,1H3,(H2,11,12,13)/t7-/m1/s1
InChIKeyVPKCPEZYVHRLEP-SSDOTTSWSA-N
MW195.29 g/mol
LogP1.09
Rot. Bonds2

About 1-amino-3-[(1R)-1-phenylethyl]thiourea

1-amino-3-[(1R)-1-phenylethyl]thiourea (PubChem CID 28934678) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-amino-3-[(1R)-1-phenylethyl]thiourea.

Molecular Properties

Compound Name1-amino-3-[(1R)-1-phenylethyl]thiourea
PubChem CID28934678
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name1-amino-3-[(1R)-1-phenylethyl]thiourea
SMILESC[C@@H](NC(=S)NN)c1ccccc1
InChIInChI=1S/C9H13N3S/c1-7(11-9(13)12-10)8-5-3-2-4-6-8/h2-7H,10H2,1H3,(H2,11,12,13)/t7-/m1/s1
InChIKeyVPKCPEZYVHRLEP-SSDOTTSWSA-N
XLogP1.09
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-amino-3-[(1R)-1-phenylethyl]thiourea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(1R)-1-phenylethyl]thiourea?
The IUPAC name of 1-amino-3-[(1R)-1-phenylethyl]thiourea (CID 28934678) is 1-amino-3-[(1R)-1-phenylethyl]thiourea.
What is the SMILES notation for 1-amino-3-[(1R)-1-phenylethyl]thiourea?
The canonical SMILES for 1-amino-3-[(1R)-1-phenylethyl]thiourea is C[C@@H](NC(=S)NN)c1ccccc1.
What is the InChIKey of 1-amino-3-[(1R)-1-phenylethyl]thiourea?
The InChIKey is VPKCPEZYVHRLEP-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13N3S/c1-7(11-9(13)12-10)8-5-3-2-4-6-8/h2-7H,10H2,1H3,(H2,11,12,13)/t7-/m1/s1.
What are the key properties of 1-amino-3-[(1R)-1-phenylethyl]thiourea?
1-amino-3-[(1R)-1-phenylethyl]thiourea has a molecular weight of 195.29 g/mol, XLogP of 1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(1R)-1-phenylethyl]thiourea is sourced from PubChem (CID 28934678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).