1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea

C14H9Cl2N5OS — CID 2796840

IUPAC1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2csnn2)cc1)Nc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C14H9Cl2N5OS/c15-12-5-10(6-13(16)19-12)18-14(22)17-9-3-1-8(2-4-9)11-7-23-21-20-11/h1-7H,(H2,17,18,19,22)
InChIKeyKMTRXJRUIWIHEX-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.55
Rot. Bonds3

About 1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea

1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea (PubChem CID 2796840) has the molecular formula C14H9Cl2N5OS and a molecular weight of 366.23 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea
PubChem CID2796840
Molecular FormulaC14H9Cl2N5OS
Molecular Weight366.23 g/mol
Exact Mass364.99
IUPAC Name1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2csnn2)cc1)Nc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C14H9Cl2N5OS/c15-12-5-10(6-13(16)19-12)18-14(22)17-9-3-1-8(2-4-9)11-7-23-21-20-11/h1-7H,(H2,17,18,19,22)
InChIKeyKMTRXJRUIWIHEX-UHFFFAOYSA-N
XLogP4.55
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.23
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea?
The IUPAC name of 1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea (CID 2796840) is 1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea is O=C(Nc1ccc(-c2csnn2)cc1)Nc1cc(Cl)nc(Cl)c1.
What is the InChIKey of 1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea?
The InChIKey is KMTRXJRUIWIHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N5OS/c15-12-5-10(6-13(16)19-12)18-14(22)17-9-3-1-8(2-4-9)11-7-23-21-20-11/h1-7H,(H2,17,18,19,22).
What are the key properties of 1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea?
1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea has a molecular weight of 366.23 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea is sourced from PubChem (CID 2796840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).