5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

C9H13ClN4O2S — CID 80618361

IUPAC5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCN1CCOC(CNC(=O)c2nnc(Cl)s2)C1
InChIInChI=1S/C9H13ClN4O2S/c1-14-2-3-16-6(5-14)4-11-7(15)8-12-13-9(10)17-8/h6H,2-5H2,1H3,(H,11,15)
InChIKeyQULWVYQXFNHRBR-UHFFFAOYSA-N
MW276.75 g/mol
LogP0.25
Rot. Bonds3

About 5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618361) has the molecular formula C9H13ClN4O2S and a molecular weight of 276.75 g/mol. Its IUPAC name is 5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618361
Molecular FormulaC9H13ClN4O2S
Molecular Weight276.75 g/mol
Exact Mass276.04
IUPAC Name5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCN1CCOC(CNC(=O)c2nnc(Cl)s2)C1
InChIInChI=1S/C9H13ClN4O2S/c1-14-2-3-16-6(5-14)4-11-7(15)8-12-13-9(10)17-8/h6H,2-5H2,1H3,(H,11,15)
InChIKeyQULWVYQXFNHRBR-UHFFFAOYSA-N
XLogP0.25
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 80618361) is 5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is CN1CCOC(CNC(=O)c2nnc(Cl)s2)C1.
What is the InChIKey of 5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is QULWVYQXFNHRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2S/c1-14-2-3-16-6(5-14)4-11-7(15)8-12-13-9(10)17-8/h6H,2-5H2,1H3,(H,11,15).
What are the key properties of 5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 276.75 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).