5-(6-chloropyrazin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine

C6H4ClN5S2 — CID 130636779

IUPAC5-(6-chloropyrazin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Sc2cncc(Cl)n2)s1
InChIInChI=1S/C6H4ClN5S2/c7-3-1-9-2-4(10-3)13-6-12-11-5(8)14-6/h1-2H,(H2,8,11)
InChIKeyBUIHPWDFDYMQMK-UHFFFAOYSA-N
MW245.72 g/mol
LogP1.71
Rot. Bonds2

About 5-(6-chloropyrazin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine

5-(6-chloropyrazin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 130636779) has the molecular formula C6H4ClN5S2 and a molecular weight of 245.72 g/mol. Its IUPAC name is 5-(6-chloropyrazin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(6-chloropyrazin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID130636779
Molecular FormulaC6H4ClN5S2
Molecular Weight245.72 g/mol
Exact Mass244.96
IUPAC Name5-(6-chloropyrazin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Sc2cncc(Cl)n2)s1
InChIInChI=1S/C6H4ClN5S2/c7-3-1-9-2-4(10-3)13-6-12-11-5(8)14-6/h1-2H,(H2,8,11)
InChIKeyBUIHPWDFDYMQMK-UHFFFAOYSA-N
XLogP1.71
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 18708491
2-chloro-6-(4-methylphenyl)sulfanylpyrazine
CID 43213384
4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 47158888
2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine
CID 43260496
2-chloro-6-(2-fluorophenyl)sulfanylpyrazine
CID 43260478
4-(6-chloropyrazin-2-yl)sulfanylthiophene-2-carboxylic acid
CID 114335555
4-(6-chloropyrazin-2-yl)sulfanylbenzoic acid
CID 114335533
5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 60712716
2-(6-chloropyrazin-2-yl)sulfanylbenzoic acid
CID 114335537
3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]quinoxaline-2-carboxylic acid
CID 94673392
2-(6-chloro-2-methylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
CID 62481556
5-[4-(dimethylamino)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 3744110

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloropyrazin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(6-chloropyrazin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine (CID 130636779) is 5-(6-chloropyrazin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(6-chloropyrazin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(6-chloropyrazin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine is Nc1nnc(Sc2cncc(Cl)n2)s1.
What is the InChIKey of 5-(6-chloropyrazin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BUIHPWDFDYMQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN5S2/c7-3-1-9-2-4(10-3)13-6-12-11-5(8)14-6/h1-2H,(H2,8,11).
What are the key properties of 5-(6-chloropyrazin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
5-(6-chloropyrazin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 245.72 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloropyrazin-2-yl)sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130636779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).