1-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea

C14H9Cl2N5OS — CID 1075698

IUPAC1-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C14H9Cl2N5OS/c15-10-2-1-9(7-11(10)16)18-13(22)19-14-21-20-12(23-14)8-3-5-17-6-4-8/h1-7H,(H2,18,19,21,22)
InChIKeyVENGYPNOQYXRLX-UHFFFAOYSA-N
MW366.23 g/mol
LogP4.55
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea

1-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 1075698) has the molecular formula C14H9Cl2N5OS and a molecular weight of 366.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
PubChem CID1075698
Molecular FormulaC14H9Cl2N5OS
Molecular Weight366.23 g/mol
Exact Mass364.99
IUPAC Name1-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C14H9Cl2N5OS/c15-10-2-1-9(7-11(10)16)18-13(22)19-14-21-20-12(23-14)8-3-5-17-6-4-8/h1-7H,(H2,18,19,21,22)
InChIKeyVENGYPNOQYXRLX-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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea (CID 1075698) is 1-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is VENGYPNOQYXRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N5OS/c15-10-2-1-9(7-11(10)16)18-13(22)19-14-21-20-12(23-14)8-3-5-17-6-4-8/h1-7H,(H2,18,19,21,22).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea?
1-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)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-(3,4-dichlorophenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 1075698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).