1-(1-methylpiperidin-4-yl)-3-[4-(thiadiazol-4-yl)phenyl]urea

C15H19N5OS — CID 11666850

IUPAC1-(1-methylpiperidin-4-yl)-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESCN1CCC(NC(=O)Nc2ccc(-c3csnn3)cc2)CC1
InChIInChI=1S/C15H19N5OS/c1-20-8-6-13(7-9-20)17-15(21)16-12-4-2-11(3-5-12)14-10-22-19-18-14/h2-5,10,13H,6-9H2,1H3,(H2,16,17,21)
InChIKeyQEQQYWMGFIQKTC-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.42
Rot. Bonds3

About 1-(1-methylpiperidin-4-yl)-3-[4-(thiadiazol-4-yl)phenyl]urea

1-(1-methylpiperidin-4-yl)-3-[4-(thiadiazol-4-yl)phenyl]urea (PubChem CID 11666850) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-3-[4-(thiadiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-3-[4-(thiadiazol-4-yl)phenyl]urea
PubChem CID11666850
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name1-(1-methylpiperidin-4-yl)-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESCN1CCC(NC(=O)Nc2ccc(-c3csnn3)cc2)CC1
InChIInChI=1S/C15H19N5OS/c1-20-8-6-13(7-9-20)17-15(21)16-12-4-2-11(3-5-12)14-10-22-19-18-14/h2-5,10,13H,6-9H2,1H3,(H2,16,17,21)
InChIKeyQEQQYWMGFIQKTC-UHFFFAOYSA-N
XLogP2.42
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-3-[4-(thiadiazol-4-yl)phenyl]urea?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-3-[4-(thiadiazol-4-yl)phenyl]urea (CID 11666850) is 1-(1-methylpiperidin-4-yl)-3-[4-(thiadiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-3-[4-(thiadiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-3-[4-(thiadiazol-4-yl)phenyl]urea is CN1CCC(NC(=O)Nc2ccc(-c3csnn3)cc2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-3-[4-(thiadiazol-4-yl)phenyl]urea?
The InChIKey is QEQQYWMGFIQKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-20-8-6-13(7-9-20)17-15(21)16-12-4-2-11(3-5-12)14-10-22-19-18-14/h2-5,10,13H,6-9H2,1H3,(H2,16,17,21).
What are the key properties of 1-(1-methylpiperidin-4-yl)-3-[4-(thiadiazol-4-yl)phenyl]urea?
1-(1-methylpiperidin-4-yl)-3-[4-(thiadiazol-4-yl)phenyl]urea has a molecular weight of 317.42 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-3-[4-(thiadiazol-4-yl)phenyl]urea is sourced from PubChem (CID 11666850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).