1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-3-methylthiourea

C10H18N4OS — CID 20557573

IUPAC1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-3-methylthiourea
SMILESCNC(=S)NCCNCc1c(C)noc1C
InChIInChI=1S/C10H18N4OS/c1-7-9(8(2)15-14-7)6-12-4-5-13-10(16)11-3/h12H,4-6H2,1-3H3,(H2,11,13,16)
InChIKeyFVZDEJHOKFUUBC-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.47
Rot. Bonds5

About 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-3-methylthiourea

1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-3-methylthiourea (PubChem CID 20557573) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-3-methylthiourea.

Molecular Properties

Compound Name1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-3-methylthiourea
PubChem CID20557573
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-3-methylthiourea
SMILESCNC(=S)NCCNCc1c(C)noc1C
InChIInChI=1S/C10H18N4OS/c1-7-9(8(2)15-14-7)6-12-4-5-13-10(16)11-3/h12H,4-6H2,1-3H3,(H2,11,13,16)
InChIKeyFVZDEJHOKFUUBC-UHFFFAOYSA-N
XLogP0.47
TPSA62.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-3-methylthiourea 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-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-3-methylthiourea?
The IUPAC name of 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-3-methylthiourea (CID 20557573) is 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-3-methylthiourea.
What is the SMILES notation for 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-3-methylthiourea?
The canonical SMILES for 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-3-methylthiourea is CNC(=S)NCCNCc1c(C)noc1C.
What is the InChIKey of 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-3-methylthiourea?
The InChIKey is FVZDEJHOKFUUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7-9(8(2)15-14-7)6-12-4-5-13-10(16)11-3/h12H,4-6H2,1-3H3,(H2,11,13,16).
What are the key properties of 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-3-methylthiourea?
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-3-methylthiourea has a molecular weight of 242.35 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-3-methylthiourea is sourced from PubChem (CID 20557573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).