1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(piperidin-4-ylmethyl)urea

C10H17N5OS — CID 46996363

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(piperidin-4-ylmethyl)urea
SMILESCc1nnc(NC(=O)NCC2CCNCC2)s1
InChIInChI=1S/C10H17N5OS/c1-7-14-15-10(17-7)13-9(16)12-6-8-2-4-11-5-3-8/h8,11H,2-6H2,1H3,(H2,12,13,15,16)
InChIKeyQHWSEBRPEFSVCK-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.97
Rot. Bonds3

About 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(piperidin-4-ylmethyl)urea

1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(piperidin-4-ylmethyl)urea (PubChem CID 46996363) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(piperidin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(piperidin-4-ylmethyl)urea
PubChem CID46996363
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(piperidin-4-ylmethyl)urea
SMILESCc1nnc(NC(=O)NCC2CCNCC2)s1
InChIInChI=1S/C10H17N5OS/c1-7-14-15-10(17-7)13-9(16)12-6-8-2-4-11-5-3-8/h8,11H,2-6H2,1H3,(H2,12,13,15,16)
InChIKeyQHWSEBRPEFSVCK-UHFFFAOYSA-N
XLogP0.97
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(piperidin-4-ylmethyl)urea?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(piperidin-4-ylmethyl)urea (CID 46996363) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(piperidin-4-ylmethyl)urea.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(piperidin-4-ylmethyl)urea?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(piperidin-4-ylmethyl)urea is Cc1nnc(NC(=O)NCC2CCNCC2)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(piperidin-4-ylmethyl)urea?
The InChIKey is QHWSEBRPEFSVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-7-14-15-10(17-7)13-9(16)12-6-8-2-4-11-5-3-8/h8,11H,2-6H2,1H3,(H2,12,13,15,16).
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(piperidin-4-ylmethyl)urea?
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(piperidin-4-ylmethyl)urea has a molecular weight of 255.35 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(piperidin-4-ylmethyl)urea is sourced from PubChem (CID 46996363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).