1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(thiophen-2-ylmethyl)thiourea

C20H25N3S2 — CID 2157873

IUPAC1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(thiophen-2-ylmethyl)thiourea
SMILESCCNC(=S)N(CCc1c(C)[nH]c2ccc(C)cc12)Cc1cccs1
InChIInChI=1S/C20H25N3S2/c1-4-21-20(24)23(13-16-6-5-11-25-16)10-9-17-15(3)22-19-8-7-14(2)12-18(17)19/h5-8,11-12,22H,4,9-10,13H2,1-3H3,(H,21,24)
InChIKeyYWVADNHYPFYPBF-UHFFFAOYSA-N
MW371.58 g/mol
LogP4.79
Rot. Bonds6

About 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(thiophen-2-ylmethyl)thiourea

1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(thiophen-2-ylmethyl)thiourea (PubChem CID 2157873) has the molecular formula C20H25N3S2 and a molecular weight of 371.58 g/mol. Its IUPAC name is 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(thiophen-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(thiophen-2-ylmethyl)thiourea
PubChem CID2157873
Molecular FormulaC20H25N3S2
Molecular Weight371.58 g/mol
Exact Mass371.15
IUPAC Name1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(thiophen-2-ylmethyl)thiourea
SMILESCCNC(=S)N(CCc1c(C)[nH]c2ccc(C)cc12)Cc1cccs1
InChIInChI=1S/C20H25N3S2/c1-4-21-20(24)23(13-16-6-5-11-25-16)10-9-17-15(3)22-19-8-7-14(2)12-18(17)19/h5-8,11-12,22H,4,9-10,13H2,1-3H3,(H,21,24)
InChIKeyYWVADNHYPFYPBF-UHFFFAOYSA-N
XLogP4.79
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.58
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(thiophen-2-ylmethyl)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-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(thiophen-2-ylmethyl)thiourea?
The IUPAC name of 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(thiophen-2-ylmethyl)thiourea (CID 2157873) is 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(thiophen-2-ylmethyl)thiourea.
What is the SMILES notation for 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(thiophen-2-ylmethyl)thiourea?
The canonical SMILES for 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(thiophen-2-ylmethyl)thiourea is CCNC(=S)N(CCc1c(C)[nH]c2ccc(C)cc12)Cc1cccs1.
What is the InChIKey of 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(thiophen-2-ylmethyl)thiourea?
The InChIKey is YWVADNHYPFYPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3S2/c1-4-21-20(24)23(13-16-6-5-11-25-16)10-9-17-15(3)22-19-8-7-14(2)12-18(17)19/h5-8,11-12,22H,4,9-10,13H2,1-3H3,(H,21,24).
What are the key properties of 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(thiophen-2-ylmethyl)thiourea?
1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(thiophen-2-ylmethyl)thiourea has a molecular weight of 371.58 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-ethyl-1-(thiophen-2-ylmethyl)thiourea is sourced from PubChem (CID 2157873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).