1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5-dimethylphenyl)thiourea

C17H23N3S2 — CID 18204254

IUPAC1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5-dimethylphenyl)thiourea
SMILESCc1ccc(C)c(NC(=S)NCC(c2cccs2)N(C)C)c1
InChIInChI=1S/C17H23N3S2/c1-12-7-8-13(2)14(10-12)19-17(21)18-11-15(20(3)4)16-6-5-9-22-16/h5-10,15H,11H2,1-4H3,(H2,18,19,21)
InChIKeyFGNCFOOHCNHBAW-UHFFFAOYSA-N
MW333.53 g/mol
LogP3.95
Rot. Bonds5

About 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5-dimethylphenyl)thiourea

1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5-dimethylphenyl)thiourea (PubChem CID 18204254) has the molecular formula C17H23N3S2 and a molecular weight of 333.53 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5-dimethylphenyl)thiourea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5-dimethylphenyl)thiourea
PubChem CID18204254
Molecular FormulaC17H23N3S2
Molecular Weight333.53 g/mol
Exact Mass333.13
IUPAC Name1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5-dimethylphenyl)thiourea
SMILESCc1ccc(C)c(NC(=S)NCC(c2cccs2)N(C)C)c1
InChIInChI=1S/C17H23N3S2/c1-12-7-8-13(2)14(10-12)19-17(21)18-11-15(20(3)4)16-6-5-9-22-16/h5-10,15H,11H2,1-4H3,(H2,18,19,21)
InChIKeyFGNCFOOHCNHBAW-UHFFFAOYSA-N
XLogP3.95
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.53
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5-dimethylphenyl)thiourea?
The IUPAC name of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5-dimethylphenyl)thiourea (CID 18204254) is 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5-dimethylphenyl)thiourea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5-dimethylphenyl)thiourea?
The canonical SMILES for 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5-dimethylphenyl)thiourea is Cc1ccc(C)c(NC(=S)NCC(c2cccs2)N(C)C)c1.
What is the InChIKey of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5-dimethylphenyl)thiourea?
The InChIKey is FGNCFOOHCNHBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S2/c1-12-7-8-13(2)14(10-12)19-17(21)18-11-15(20(3)4)16-6-5-9-22-16/h5-10,15H,11H2,1-4H3,(H2,18,19,21).
What are the key properties of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5-dimethylphenyl)thiourea?
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5-dimethylphenyl)thiourea has a molecular weight of 333.53 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,5-dimethylphenyl)thiourea is sourced from PubChem (CID 18204254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).