5-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide

C12H9ClN4O3S — CID 80618465

IUPAC5-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1cccc(N2CCOC2=O)c1)c1nnc(Cl)s1
InChIInChI=1S/C12H9ClN4O3S/c13-11-16-15-10(21-11)9(18)14-7-2-1-3-8(6-7)17-4-5-20-12(17)19/h1-3,6H,4-5H2,(H,14,18)
InChIKeyJZUIUQCLMIFQNF-UHFFFAOYSA-N
MW324.75 g/mol
LogP2.40
Rot. Bonds3

About 5-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618465) has the molecular formula C12H9ClN4O3S and a molecular weight of 324.75 g/mol. Its IUPAC name is 5-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618465
Molecular FormulaC12H9ClN4O3S
Molecular Weight324.75 g/mol
Exact Mass324.01
IUPAC Name5-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1cccc(N2CCOC2=O)c1)c1nnc(Cl)s1
InChIInChI=1S/C12H9ClN4O3S/c13-11-16-15-10(21-11)9(18)14-7-2-1-3-8(6-7)17-4-5-20-12(17)19/h1-3,6H,4-5H2,(H,14,18)
InChIKeyJZUIUQCLMIFQNF-UHFFFAOYSA-N
XLogP2.40
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.75
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-methylsulfanyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide
CID 46413072
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-phenylacetamide
CID 110874037
5-chloro-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618282
1-[(2-chlorophenyl)methyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide
CID 39141043
1-amino-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxamide
CID 60852641
2,2,3,3-tetrafluoro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]propanamide
CID 103732683
2-(furan-2-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 55610356
1-benzyl-3,5-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide
CID 55617228
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 167971466
5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625234
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
CID 61178628
(2R,3S)-2,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide
CID 97022624

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide (CID 80618465) is 5-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1cccc(N2CCOC2=O)c1)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JZUIUQCLMIFQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O3S/c13-11-16-15-10(21-11)9(18)14-7-2-1-3-8(6-7)17-4-5-20-12(17)19/h1-3,6H,4-5H2,(H,14,18).
What are the key properties of 5-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 324.75 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).