N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]oxolane-2-carboxamide

C12H11ClN4O2S — CID 126828954

IUPACN-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nc(-c2ncccc2Cl)ns1)C1CCCO1
InChIInChI=1S/C12H11ClN4O2S/c13-7-3-1-5-14-9(7)10-15-12(20-17-10)16-11(18)8-4-2-6-19-8/h1,3,5,8H,2,4,6H2,(H,15,16,17,18)
InChIKeyBIAXVLUTHGJCOA-UHFFFAOYSA-N
MW310.77 g/mol
LogP2.37
Rot. Bonds3

About N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]oxolane-2-carboxamide

N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]oxolane-2-carboxamide (PubChem CID 126828954) has the molecular formula C12H11ClN4O2S and a molecular weight of 310.77 g/mol. Its IUPAC name is N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]oxolane-2-carboxamide
PubChem CID126828954
Molecular FormulaC12H11ClN4O2S
Molecular Weight310.77 g/mol
Exact Mass310.03
IUPAC NameN-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nc(-c2ncccc2Cl)ns1)C1CCCO1
InChIInChI=1S/C12H11ClN4O2S/c13-7-3-1-5-14-9(7)10-15-12(20-17-10)16-11(18)8-4-2-6-19-8/h1,3,5,8H,2,4,6H2,(H,15,16,17,18)
InChIKeyBIAXVLUTHGJCOA-UHFFFAOYSA-N
XLogP2.37
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.77
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-3-pyridinyl)oxolane-2-carboxamide
CID 4166852
(2R)-N-(2-chloro-4-pyridinyl)oxolane-2-carboxamide
CID 129370669
N-(2,3-dichlorophenyl)oxolane-2-carboxamide
CID 3155144
(2S)-N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 1143583
(2S)-N-(1H-imidazol-2-yl)oxolane-2-carboxamide
CID 103872487
(2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide
CID 103479904
N-quinolin-8-yloxane-2-carboxamide
CID 110863491
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide
CID 136516557
3-chloro-2-(oxolane-2-carbonylamino)benzoic acid
CID 90792803
N-(2-bromo-3-pyridinyl)oxane-2-carboxamide
CID 103822374
(2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide
CID 100745825
(2R)-N-[2-(4-chlorophenyl)pyrimidin-5-yl]oxolane-2-carboxamide
CID 95100497

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]oxolane-2-carboxamide (CID 126828954) is N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]oxolane-2-carboxamide is O=C(Nc1nc(-c2ncccc2Cl)ns1)C1CCCO1.
What is the InChIKey of N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]oxolane-2-carboxamide?
The InChIKey is BIAXVLUTHGJCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2S/c13-7-3-1-5-14-9(7)10-15-12(20-17-10)16-11(18)8-4-2-6-19-8/h1,3,5,8H,2,4,6H2,(H,15,16,17,18).
What are the key properties of N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]oxolane-2-carboxamide?
N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]oxolane-2-carboxamide has a molecular weight of 310.77 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-2-pyridinyl)-1,2,4-thiadiazol-5-yl]oxolane-2-carboxamide is sourced from PubChem (CID 126828954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).