1-(3-methylbutan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

C14H18N4OS — CID 47432927

IUPAC1-(3-methylbutan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESCC(C)C(C)NC(=O)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C14H18N4OS/c1-9(2)10(3)15-13(19)17-14-16-12(18-20-14)11-7-5-4-6-8-11/h4-10H,1-3H3,(H2,15,16,17,18,19)
InChIKeyVKQGVNILEKSZAY-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.37
Rot. Bonds4

About 1-(3-methylbutan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

1-(3-methylbutan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 47432927) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(3-methylbutan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(3-methylbutan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID47432927
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-(3-methylbutan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESCC(C)C(C)NC(=O)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C14H18N4OS/c1-9(2)10(3)15-13(19)17-14-16-12(18-20-14)11-7-5-4-6-8-11/h4-10H,1-3H3,(H2,15,16,17,18,19)
InChIKeyVKQGVNILEKSZAY-UHFFFAOYSA-N
XLogP3.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-methylbutan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea 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-(3-methylbutan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-(3-methylbutan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (CID 47432927) is 1-(3-methylbutan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(3-methylbutan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-(3-methylbutan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is CC(C)C(C)NC(=O)Nc1nc(-c2ccccc2)ns1.
What is the InChIKey of 1-(3-methylbutan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is VKQGVNILEKSZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9(2)10(3)15-13(19)17-14-16-12(18-20-14)11-7-5-4-6-8-11/h4-10H,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 1-(3-methylbutan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
1-(3-methylbutan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 290.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 47432927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).