[4-(thiadiazol-4-yl)phenyl]methylurea

C10H10N4OS — CID 70245742

IUPAC[4-(thiadiazol-4-yl)phenyl]methylurea
SMILESNC(=O)NCc1ccc(-c2csnn2)cc1
InChIInChI=1S/C10H10N4OS/c11-10(15)12-5-7-1-3-8(4-2-7)9-6-16-14-13-9/h1-4,6H,5H2,(H3,11,12,15)
InChIKeySSKCEWNNBHEICI-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.37
Rot. Bonds3

About [4-(thiadiazol-4-yl)phenyl]methylurea

[4-(thiadiazol-4-yl)phenyl]methylurea (PubChem CID 70245742) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is [4-(thiadiazol-4-yl)phenyl]methylurea.

Molecular Properties

Compound Name[4-(thiadiazol-4-yl)phenyl]methylurea
PubChem CID70245742
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name[4-(thiadiazol-4-yl)phenyl]methylurea
SMILESNC(=O)NCc1ccc(-c2csnn2)cc1
InChIInChI=1S/C10H10N4OS/c11-10(15)12-5-7-1-3-8(4-2-7)9-6-16-14-13-9/h1-4,6H,5H2,(H3,11,12,15)
InChIKeySSKCEWNNBHEICI-UHFFFAOYSA-N
XLogP1.37
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(thiadiazol-4-yl)phenyl]methylurea?
The IUPAC name of [4-(thiadiazol-4-yl)phenyl]methylurea (CID 70245742) is [4-(thiadiazol-4-yl)phenyl]methylurea.
What is the SMILES notation for [4-(thiadiazol-4-yl)phenyl]methylurea?
The canonical SMILES for [4-(thiadiazol-4-yl)phenyl]methylurea is NC(=O)NCc1ccc(-c2csnn2)cc1.
What is the InChIKey of [4-(thiadiazol-4-yl)phenyl]methylurea?
The InChIKey is SSKCEWNNBHEICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c11-10(15)12-5-7-1-3-8(4-2-7)9-6-16-14-13-9/h1-4,6H,5H2,(H3,11,12,15).
What are the key properties of [4-(thiadiazol-4-yl)phenyl]methylurea?
[4-(thiadiazol-4-yl)phenyl]methylurea has a molecular weight of 234.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(thiadiazol-4-yl)phenyl]methylurea is sourced from PubChem (CID 70245742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).