[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamic acid

C8H11ClN4O2S — CID 68778618

IUPAC[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(c2nsc(Cl)n2)CC1
InChIInChI=1S/C8H11ClN4O2S/c9-6-11-7(12-16-6)13-3-1-5(2-4-13)10-8(14)15/h5,10H,1-4H2,(H,14,15)
InChIKeyAWJMWYMLKSGYRV-UHFFFAOYSA-N
MW262.72 g/mol
LogP1.43
Rot. Bonds2

About [1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamic acid

[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamic acid (PubChem CID 68778618) has the molecular formula C8H11ClN4O2S and a molecular weight of 262.72 g/mol. Its IUPAC name is [1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamic acid
PubChem CID68778618
Molecular FormulaC8H11ClN4O2S
Molecular Weight262.72 g/mol
Exact Mass262.03
IUPAC Name[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(c2nsc(Cl)n2)CC1
InChIInChI=1S/C8H11ClN4O2S/c9-6-11-7(12-16-6)13-3-1-5(2-4-13)10-8(14)15/h5,10H,1-4H2,(H,14,15)
InChIKeyAWJMWYMLKSGYRV-UHFFFAOYSA-N
XLogP1.43
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamic acid (CID 68778618) is [1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(c2nsc(Cl)n2)CC1.
What is the InChIKey of [1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamic acid?
The InChIKey is AWJMWYMLKSGYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2S/c9-6-11-7(12-16-6)13-3-1-5(2-4-13)10-8(14)15/h5,10H,1-4H2,(H,14,15).
What are the key properties of [1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamic acid?
[1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamic acid has a molecular weight of 262.72 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1,2,4-thiadiazol-3-yl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 68778618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).