1-amino-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)thiourea

C12H19N3OS — CID 134118658

IUPAC1-amino-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)thiourea
SMILESCC(C)c1ccc(NC(=S)N(N)CCO)cc1
InChIInChI=1S/C12H19N3OS/c1-9(2)10-3-5-11(6-4-10)14-12(17)15(13)7-8-16/h3-6,9,16H,7-8,13H2,1-2H3,(H,14,17)
InChIKeyGMWAKSSGBNAFAA-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.67
Rot. Bonds4

About 1-amino-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)thiourea

1-amino-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)thiourea (PubChem CID 134118658) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-amino-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)thiourea.

Molecular Properties

Compound Name1-amino-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)thiourea
PubChem CID134118658
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-amino-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)thiourea
SMILESCC(C)c1ccc(NC(=S)N(N)CCO)cc1
InChIInChI=1S/C12H19N3OS/c1-9(2)10-3-5-11(6-4-10)14-12(17)15(13)7-8-16/h3-6,9,16H,7-8,13H2,1-2H3,(H,14,17)
InChIKeyGMWAKSSGBNAFAA-UHFFFAOYSA-N
XLogP1.67
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)thiourea 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-amino-3-(4-bromophenyl)-1-(2-hydroxyethyl)thiourea
CID 86133325
3-(4-propan-2-ylphenyl)-1,1-dipropylthiourea
CID 19652992
1,1-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)thiourea
CID 19653213
1-benzyl-1-methyl-3-(4-propan-2-ylphenyl)thiourea
CID 8619912
2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol
CID 22327727
1-[2-(dimethylamino)ethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8624818
O-methyl N-(4-propan-2-ylphenyl)carbamothioate
CID 2803934
1-[(4-bromophenyl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)thiourea
CID 8682379
1-(furan-2-ylmethyl)-1-methyl-3-(4-propan-2-ylphenyl)thiourea
CID 8629153
1-benzyl-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)urea
CID 110896720
1-[(2R)-1-hydroxybutan-2-yl]-3-(4-propan-2-ylphenyl)thiourea
CID 8624683
3-[4-(1-aminoethyl)phenyl]-1,1-bis(2-hydroxyethyl)urea
CID 61341512

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)thiourea?
The IUPAC name of 1-amino-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)thiourea (CID 134118658) is 1-amino-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)thiourea.
What is the SMILES notation for 1-amino-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)thiourea?
The canonical SMILES for 1-amino-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)thiourea is CC(C)c1ccc(NC(=S)N(N)CCO)cc1.
What is the InChIKey of 1-amino-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)thiourea?
The InChIKey is GMWAKSSGBNAFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9(2)10-3-5-11(6-4-10)14-12(17)15(13)7-8-16/h3-6,9,16H,7-8,13H2,1-2H3,(H,14,17).
What are the key properties of 1-amino-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)thiourea?
1-amino-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)thiourea has a molecular weight of 253.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2-hydroxyethyl)-3-(4-propan-2-ylphenyl)thiourea is sourced from PubChem (CID 134118658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).