4-phenylthiadiazole;urea

C9H10N4OS — CID 159775184

IUPAC4-phenylthiadiazole;urea
SMILESNC(N)=O.c1ccc(-c2csnn2)cc1
InChIInChI=1S/C8H6N2S.CH4N2O/c1-2-4-7(5-3-1)8-6-11-10-9-8;2-1(3)4/h1-6H;(H4,2,3,4)
InChIKeyNGQJBMQWRMJQIT-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.23
Rot. Bonds1

About 4-phenylthiadiazole;urea

4-phenylthiadiazole;urea (PubChem CID 159775184) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-phenylthiadiazole;urea.

Molecular Properties

Compound Name4-phenylthiadiazole;urea
PubChem CID159775184
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name4-phenylthiadiazole;urea
SMILESNC(N)=O.c1ccc(-c2csnn2)cc1
InChIInChI=1S/C8H6N2S.CH4N2O/c1-2-4-7(5-3-1)8-6-11-10-9-8;2-1(3)4/h1-6H;(H4,2,3,4)
InChIKeyNGQJBMQWRMJQIT-UHFFFAOYSA-N
XLogP1.23
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenylthiadiazole;urea?
The IUPAC name of 4-phenylthiadiazole;urea (CID 159775184) is 4-phenylthiadiazole;urea.
What is the SMILES notation for 4-phenylthiadiazole;urea?
The canonical SMILES for 4-phenylthiadiazole;urea is NC(N)=O.c1ccc(-c2csnn2)cc1.
What is the InChIKey of 4-phenylthiadiazole;urea?
The InChIKey is NGQJBMQWRMJQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S.CH4N2O/c1-2-4-7(5-3-1)8-6-11-10-9-8;2-1(3)4/h1-6H;(H4,2,3,4).
What are the key properties of 4-phenylthiadiazole;urea?
4-phenylthiadiazole;urea has a molecular weight of 222.27 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylthiadiazole;urea is sourced from PubChem (CID 159775184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).