1-ethyl-3-(methylamino)thiourea

C4H11N3S — CID 15685569

IUPAC1-ethyl-3-(methylamino)thiourea
SMILESCCNC(=S)NNC
InChIInChI=1S/C4H11N3S/c1-3-6-4(8)7-5-2/h5H,3H2,1-2H3,(H2,6,7,8)
InChIKeySJUCXFSRYJBWJS-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.40
Rot. Bonds2

About 1-ethyl-3-(methylamino)thiourea

1-ethyl-3-(methylamino)thiourea (PubChem CID 15685569) has the molecular formula C4H11N3S and a molecular weight of 133.22 g/mol. Its IUPAC name is 1-ethyl-3-(methylamino)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(methylamino)thiourea
PubChem CID15685569
Molecular FormulaC4H11N3S
Molecular Weight133.22 g/mol
Exact Mass133.07
IUPAC Name1-ethyl-3-(methylamino)thiourea
SMILESCCNC(=S)NNC
InChIInChI=1S/C4H11N3S/c1-3-6-4(8)7-5-2/h5H,3H2,1-2H3,(H2,6,7,8)
InChIKeySJUCXFSRYJBWJS-UHFFFAOYSA-N
XLogP-0.40
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-(methylamino)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

4-Ethyl-3-thiosemicarbazide
CID 1551780
3-Amino-1-butylthiourea
CID 1810303
3-Amino-1-(3-methylbutyl)thiourea
CID 5151427
n-Propylhydrazinecarbothioamide
CID 1810736
3-Amino-1-butyl-3-methylthiourea
CID 2375050
4-Isopropyl-3-thiosemicarbazide
CID 1809376
3-Amino-1-[2-(methylsulfanyl)ethyl]thiourea
CID 20526581
1-Amino-3-(2,2-dimethylpropyl)thiourea
CID 2798089
1-Amino-3-[2-(aminocarbamothioylamino)ethyl]thiourea
CID 3005301
1-Ethyl-3-(ethylcarbamothioylamino)thiourea
CID 3500055
(Ethylcarbamothioylamino)urea
CID 3981044
1-Amino-3-(ethylcarbamothioylamino)thiourea
CID 130721573

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(methylamino)thiourea?
The IUPAC name of 1-ethyl-3-(methylamino)thiourea (CID 15685569) is 1-ethyl-3-(methylamino)thiourea.
What is the SMILES notation for 1-ethyl-3-(methylamino)thiourea?
The canonical SMILES for 1-ethyl-3-(methylamino)thiourea is CCNC(=S)NNC.
What is the InChIKey of 1-ethyl-3-(methylamino)thiourea?
The InChIKey is SJUCXFSRYJBWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3S/c1-3-6-4(8)7-5-2/h5H,3H2,1-2H3,(H2,6,7,8).
What are the key properties of 1-ethyl-3-(methylamino)thiourea?
1-ethyl-3-(methylamino)thiourea has a molecular weight of 133.22 g/mol, XLogP of -0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(methylamino)thiourea is sourced from PubChem (CID 15685569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).