1-amino-1-(2-hydroxyethyl)-3-(4-methylphenyl)thiourea

C10H15N3OS — CID 2366366

IUPAC1-amino-1-(2-hydroxyethyl)-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)N(N)CCO)cc1
InChIInChI=1S/C10H15N3OS/c1-8-2-4-9(5-3-8)12-10(15)13(11)6-7-14/h2-5,14H,6-7,11H2,1H3,(H,12,15)
InChIKeyDLKKBXIXKPTCHZ-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.86
Rot. Bonds3

About 1-amino-1-(2-hydroxyethyl)-3-(4-methylphenyl)thiourea

1-amino-1-(2-hydroxyethyl)-3-(4-methylphenyl)thiourea (PubChem CID 2366366) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-amino-1-(2-hydroxyethyl)-3-(4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-amino-1-(2-hydroxyethyl)-3-(4-methylphenyl)thiourea
PubChem CID2366366
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-amino-1-(2-hydroxyethyl)-3-(4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)N(N)CCO)cc1
InChIInChI=1S/C10H15N3OS/c1-8-2-4-9(5-3-8)12-10(15)13(11)6-7-14/h2-5,14H,6-7,11H2,1H3,(H,12,15)
InChIKeyDLKKBXIXKPTCHZ-UHFFFAOYSA-N
XLogP0.86
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.86
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'}

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Related Compounds

1-(2-Hydroxyethyl)-3-(2,4-xylyl)-2-thiourea
CID 1810978
N-(2-hydroxyethyl)-N'-(2-methylphenyl)thiourea
CID 2177721
1-Ethyl-3-(4-methylphenyl)thiourea
CID 4413304
3-Amino-1-(4-methylphenyl)thiourea
CID 737132
1-(2-Hydroxyethyl)-3-phenyl-2-thiourea
CID 1549562
1-(2-Hydroxy-ethyl)-3-phenyl-1-p-tolyl-thiourea
CID 820136
3-(2,5-Dimethylphenyl)-1-(2-hydroxyethyl)-1-methylthiourea
CID 2377881
1-(3,5-Dimethylphenyl)-3-(2-hydroxyethyl)thiourea
CID 2171225
1-(4-Butylphenyl)-3-(2-hydroxyethyl)thiourea
CID 2191955
N-(2-hydroxyethyl)-N'-mesitylthiourea
CID 2731083
N-(4-Methylphenyl)-N'-2-propen-1-ylthiourea
CID 1552260
1-(2,6-Dimethylphenyl)-3-(2-hydroxyethyl)thiourea
CID 2731006

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2-hydroxyethyl)-3-(4-methylphenyl)thiourea?
The IUPAC name of 1-amino-1-(2-hydroxyethyl)-3-(4-methylphenyl)thiourea (CID 2366366) is 1-amino-1-(2-hydroxyethyl)-3-(4-methylphenyl)thiourea.
What is the SMILES notation for 1-amino-1-(2-hydroxyethyl)-3-(4-methylphenyl)thiourea?
The canonical SMILES for 1-amino-1-(2-hydroxyethyl)-3-(4-methylphenyl)thiourea is Cc1ccc(NC(=S)N(N)CCO)cc1.
What is the InChIKey of 1-amino-1-(2-hydroxyethyl)-3-(4-methylphenyl)thiourea?
The InChIKey is DLKKBXIXKPTCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-8-2-4-9(5-3-8)12-10(15)13(11)6-7-14/h2-5,14H,6-7,11H2,1H3,(H,12,15).
What are the key properties of 1-amino-1-(2-hydroxyethyl)-3-(4-methylphenyl)thiourea?
1-amino-1-(2-hydroxyethyl)-3-(4-methylphenyl)thiourea has a molecular weight of 225.32 g/mol, XLogP of 0.86, 3 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-methylphenyl)thiourea is sourced from PubChem (CID 2366366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).