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

C9H12ClN3O2S — CID 80625558

IUPAC5-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCCC1CCCO1)c1nnc(Cl)s1
InChIInChI=1S/C9H12ClN3O2S/c10-9-13-12-8(16-9)7(14)11-4-3-6-2-1-5-15-6/h6H,1-5H2,(H,11,14)
InChIKeyQMFKNHTVZFEOIW-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.49
Rot. Bonds4

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

5-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625558) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is 5-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625558
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name5-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCCC1CCCO1)c1nnc(Cl)s1
InChIInChI=1S/C9H12ClN3O2S/c10-9-13-12-8(16-9)7(14)11-4-3-6-2-1-5-15-6/h6H,1-5H2,(H,11,14)
InChIKeyQMFKNHTVZFEOIW-UHFFFAOYSA-N
XLogP1.49
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-cyclopropylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80619704
3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 113286146
5-chloro-N-(oxan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625385
4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 42950494
3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 66482577
2-amino-6-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 55042052
3,4-dichloro-2-hydroxy-N-[2-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 97010668
2-bromo-5-chloro-N-[2-(oxan-2-yl)ethyl]benzamide
CID 113362862
3-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65395828
2-chloro-6-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 62249166
2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110731260
5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618770

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide (CID 80625558) is 5-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide is O=C(NCCC1CCCO1)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is QMFKNHTVZFEOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c10-9-13-12-8(16-9)7(14)11-4-3-6-2-1-5-15-6/h6H,1-5H2,(H,11,14).
What are the key properties of 5-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 261.73 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).