1-[2-(dimethylamino)ethyl]-3-(4-propan-2-ylphenyl)thiourea

C14H23N3S — CID 8624818

IUPAC1-[2-(dimethylamino)ethyl]-3-(4-propan-2-ylphenyl)thiourea
SMILESCC(C)c1ccc(NC(=S)NCCN(C)C)cc1
InChIInChI=1S/C14H23N3S/c1-11(2)12-5-7-13(8-6-12)16-14(18)15-9-10-17(3)4/h5-8,11H,9-10H2,1-4H3,(H2,15,16,18)
InChIKeyFEKJMCMTTWCLCB-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.66
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-3-(4-propan-2-ylphenyl)thiourea

1-[2-(dimethylamino)ethyl]-3-(4-propan-2-ylphenyl)thiourea (PubChem CID 8624818) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(4-propan-2-ylphenyl)thiourea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(4-propan-2-ylphenyl)thiourea
PubChem CID8624818
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(4-propan-2-ylphenyl)thiourea
SMILESCC(C)c1ccc(NC(=S)NCCN(C)C)cc1
InChIInChI=1S/C14H23N3S/c1-11(2)12-5-7-13(8-6-12)16-14(18)15-9-10-17(3)4/h5-8,11H,9-10H2,1-4H3,(H2,15,16,18)
InChIKeyFEKJMCMTTWCLCB-UHFFFAOYSA-N
XLogP2.66
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-3-(4-propan-2-ylphenyl)thiourea
CID 19651185
1-(3,3-diphenylpropyl)-3-(4-propan-2-ylphenyl)thiourea
CID 19650217
2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 108994500
1-(4-bromophenyl)-3-[3-(4-propan-2-ylphenyl)propyl]thiourea
CID 100756521
N-[2-(dimethylamino)ethyl]-2-oxo-2-(4-propan-2-ylphenyl)acetamide
CID 94274700
dimethyl-[2-[[(4-propan-2-ylphenyl)carbamothioylamino]carbamothioylamino]ethyl]azanium
CID 8619130
3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109104104
1-[(2R)-2-phenylpropyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8658472
1-[2-[di(propan-2-yl)amino]ethyl]-3-(4-ethylphenyl)thiourea
CID 8659730
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8681969
1-(4-cyclopentyloxyphenyl)-3-[2-(dimethylamino)ethyl]thiourea
CID 94003652
1-[2-(dimethylamino)ethyl]-3-[(3,4-dimethylphenyl)carbamothioylamino]thiourea
CID 8618167

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(4-propan-2-ylphenyl)thiourea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(4-propan-2-ylphenyl)thiourea (CID 8624818) is 1-[2-(dimethylamino)ethyl]-3-(4-propan-2-ylphenyl)thiourea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(4-propan-2-ylphenyl)thiourea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(4-propan-2-ylphenyl)thiourea is CC(C)c1ccc(NC(=S)NCCN(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(4-propan-2-ylphenyl)thiourea?
The InChIKey is FEKJMCMTTWCLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-11(2)12-5-7-13(8-6-12)16-14(18)15-9-10-17(3)4/h5-8,11H,9-10H2,1-4H3,(H2,15,16,18).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(4-propan-2-ylphenyl)thiourea?
1-[2-(dimethylamino)ethyl]-3-(4-propan-2-ylphenyl)thiourea has a molecular weight of 265.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(4-propan-2-ylphenyl)thiourea is sourced from PubChem (CID 8624818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).