(5-chlorothiadiazol-4-yl)methyl pyrazine-2-carboxylate

C8H5ClN4O2S — CID 37291780

IUPAC(5-chlorothiadiazol-4-yl)methyl pyrazine-2-carboxylate
SMILESO=C(OCc1nnsc1Cl)c1cnccn1
InChIInChI=1S/C8H5ClN4O2S/c9-7-6(12-13-16-7)4-15-8(14)5-3-10-1-2-11-5/h1-3H,4H2
InChIKeyRCQPWAZXNYHJFR-UHFFFAOYSA-N
MW256.67 g/mol
LogP1.34
Rot. Bonds3

About (5-chlorothiadiazol-4-yl)methyl pyrazine-2-carboxylate

(5-chlorothiadiazol-4-yl)methyl pyrazine-2-carboxylate (PubChem CID 37291780) has the molecular formula C8H5ClN4O2S and a molecular weight of 256.67 g/mol. Its IUPAC name is (5-chlorothiadiazol-4-yl)methyl pyrazine-2-carboxylate.

Molecular Properties

Compound Name(5-chlorothiadiazol-4-yl)methyl pyrazine-2-carboxylate
PubChem CID37291780
Molecular FormulaC8H5ClN4O2S
Molecular Weight256.67 g/mol
Exact Mass255.98
IUPAC Name(5-chlorothiadiazol-4-yl)methyl pyrazine-2-carboxylate
SMILESO=C(OCc1nnsc1Cl)c1cnccn1
InChIInChI=1S/C8H5ClN4O2S/c9-7-6(12-13-16-7)4-15-8(14)5-3-10-1-2-11-5/h1-3H,4H2
InChIKeyRCQPWAZXNYHJFR-UHFFFAOYSA-N
XLogP1.34
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.67
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
3-[(5-chlorothiadiazol-4-yl)methoxy]pyridine-4-carboxylic acid
CID 81445483
(3,5-dimethylphenyl)methyl pyrazine-2-carboxylate
CID 17428240
(2-chloro-6-fluorophenyl)methyl pyrazine-2-carboxylate
CID 977894
amino pyrazine-2-carboxylate
CID 67878279
(5-chlorothiadiazol-4-yl)methyl 5-chloro-2-methoxybenzoate
CID 30501026
(2-chloroquinolin-3-yl)methyl pyrazine-2-carboxylate
CID 7594601
(5-chlorothiadiazol-4-yl)methyl 3-methoxy-4-propan-2-yloxybenzoate
CID 46618378
(5-chlorothiadiazol-4-yl)methyl 4-(2,2,2-trifluoroethoxymethyl)benzoate
CID 55562493
silyl pyrazine-2-carboxylate
CID 137330489
(5-chlorothiadiazol-4-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 33002914
(5-chlorothiadiazol-4-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate
CID 35607975

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiadiazol-4-yl)methyl pyrazine-2-carboxylate?
The IUPAC name of (5-chlorothiadiazol-4-yl)methyl pyrazine-2-carboxylate (CID 37291780) is (5-chlorothiadiazol-4-yl)methyl pyrazine-2-carboxylate.
What is the SMILES notation for (5-chlorothiadiazol-4-yl)methyl pyrazine-2-carboxylate?
The canonical SMILES for (5-chlorothiadiazol-4-yl)methyl pyrazine-2-carboxylate is O=C(OCc1nnsc1Cl)c1cnccn1.
What is the InChIKey of (5-chlorothiadiazol-4-yl)methyl pyrazine-2-carboxylate?
The InChIKey is RCQPWAZXNYHJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4O2S/c9-7-6(12-13-16-7)4-15-8(14)5-3-10-1-2-11-5/h1-3H,4H2.
What are the key properties of (5-chlorothiadiazol-4-yl)methyl pyrazine-2-carboxylate?
(5-chlorothiadiazol-4-yl)methyl pyrazine-2-carboxylate has a molecular weight of 256.67 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiadiazol-4-yl)methyl pyrazine-2-carboxylate is sourced from PubChem (CID 37291780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).