1-(piperidin-4-ylmethyl)-3-(1,3,4-thiadiazol-2-yl)urea

C9H15N5OS — CID 50949943

IUPAC1-(piperidin-4-ylmethyl)-3-(1,3,4-thiadiazol-2-yl)urea
SMILESO=C(NCC1CCNCC1)Nc1nncs1
InChIInChI=1S/C9H15N5OS/c15-8(13-9-14-12-6-16-9)11-5-7-1-3-10-4-2-7/h6-7,10H,1-5H2,(H2,11,13,14,15)
InChIKeyKFVOWJHMFSXGEA-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.66
Rot. Bonds3

About 1-(piperidin-4-ylmethyl)-3-(1,3,4-thiadiazol-2-yl)urea

1-(piperidin-4-ylmethyl)-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 50949943) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID50949943
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name1-(piperidin-4-ylmethyl)-3-(1,3,4-thiadiazol-2-yl)urea
SMILESO=C(NCC1CCNCC1)Nc1nncs1
InChIInChI=1S/C9H15N5OS/c15-8(13-9-14-12-6-16-9)11-5-7-1-3-10-4-2-7/h6-7,10H,1-5H2,(H2,11,13,14,15)
InChIKeyKFVOWJHMFSXGEA-UHFFFAOYSA-N
XLogP0.66
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylmethyl)-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(piperidin-4-ylmethyl)-3-(1,3,4-thiadiazol-2-yl)urea (CID 50949943) is 1-(piperidin-4-ylmethyl)-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(piperidin-4-ylmethyl)-3-(1,3,4-thiadiazol-2-yl)urea is O=C(NCC1CCNCC1)Nc1nncs1.
What is the InChIKey of 1-(piperidin-4-ylmethyl)-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is KFVOWJHMFSXGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c15-8(13-9-14-12-6-16-9)11-5-7-1-3-10-4-2-7/h6-7,10H,1-5H2,(H2,11,13,14,15).
What are the key properties of 1-(piperidin-4-ylmethyl)-3-(1,3,4-thiadiazol-2-yl)urea?
1-(piperidin-4-ylmethyl)-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 241.32 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylmethyl)-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 50949943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).