1-methyl-3-[2-[methyl(1,3-thiazol-5-yl)amino]ethylsulfanyl]urea

C8H14N4OS2 — CID 88760684

IUPAC1-methyl-3-[2-[methyl(1,3-thiazol-5-yl)amino]ethylsulfanyl]urea
SMILESCNC(=O)NSCCN(C)c1cncs1
InChIInChI=1S/C8H14N4OS2/c1-9-8(13)11-15-4-3-12(2)7-5-10-6-14-7/h5-6H,3-4H2,1-2H3,(H2,9,11,13)
InChIKeyARTFJVLVDGJOID-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.16
Rot. Bonds5

About 1-methyl-3-[2-[methyl(1,3-thiazol-5-yl)amino]ethylsulfanyl]urea

1-methyl-3-[2-[methyl(1,3-thiazol-5-yl)amino]ethylsulfanyl]urea (PubChem CID 88760684) has the molecular formula C8H14N4OS2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-methyl-3-[2-[methyl(1,3-thiazol-5-yl)amino]ethylsulfanyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-[methyl(1,3-thiazol-5-yl)amino]ethylsulfanyl]urea
PubChem CID88760684
Molecular FormulaC8H14N4OS2
Molecular Weight246.36 g/mol
Exact Mass246.06
IUPAC Name1-methyl-3-[2-[methyl(1,3-thiazol-5-yl)amino]ethylsulfanyl]urea
SMILESCNC(=O)NSCCN(C)c1cncs1
InChIInChI=1S/C8H14N4OS2/c1-9-8(13)11-15-4-3-12(2)7-5-10-6-14-7/h5-6H,3-4H2,1-2H3,(H2,9,11,13)
InChIKeyARTFJVLVDGJOID-UHFFFAOYSA-N
XLogP1.16
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[methyl(1,3-thiazol-5-yl)amino]ethylsulfanyl]urea?
The IUPAC name of 1-methyl-3-[2-[methyl(1,3-thiazol-5-yl)amino]ethylsulfanyl]urea (CID 88760684) is 1-methyl-3-[2-[methyl(1,3-thiazol-5-yl)amino]ethylsulfanyl]urea.
What is the SMILES notation for 1-methyl-3-[2-[methyl(1,3-thiazol-5-yl)amino]ethylsulfanyl]urea?
The canonical SMILES for 1-methyl-3-[2-[methyl(1,3-thiazol-5-yl)amino]ethylsulfanyl]urea is CNC(=O)NSCCN(C)c1cncs1.
What is the InChIKey of 1-methyl-3-[2-[methyl(1,3-thiazol-5-yl)amino]ethylsulfanyl]urea?
The InChIKey is ARTFJVLVDGJOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS2/c1-9-8(13)11-15-4-3-12(2)7-5-10-6-14-7/h5-6H,3-4H2,1-2H3,(H2,9,11,13).
What are the key properties of 1-methyl-3-[2-[methyl(1,3-thiazol-5-yl)amino]ethylsulfanyl]urea?
1-methyl-3-[2-[methyl(1,3-thiazol-5-yl)amino]ethylsulfanyl]urea has a molecular weight of 246.36 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[methyl(1,3-thiazol-5-yl)amino]ethylsulfanyl]urea is sourced from PubChem (CID 88760684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).