4-ethylthiadiazole

C4H6N2S — CID 13427198

IUPAC4-ethylthiadiazole
SMILESCCc1csnn1
InChIInChI=1S/C4H6N2S/c1-2-4-3-7-6-5-4/h3H,2H2,1H3
InChIKeyCQQKDILFHPKTLK-UHFFFAOYSA-N
MW114.17 g/mol
LogP1.10
Rot. Bonds1

About 4-ethylthiadiazole

4-ethylthiadiazole (PubChem CID 13427198) has the molecular formula C4H6N2S and a molecular weight of 114.17 g/mol. Its IUPAC name is 4-ethylthiadiazole.

Molecular Properties

Compound Name4-ethylthiadiazole
PubChem CID13427198
Molecular FormulaC4H6N2S
Molecular Weight114.17 g/mol
Exact Mass114.03
IUPAC Name4-ethylthiadiazole
SMILESCCc1csnn1
InChIInChI=1S/C4H6N2S/c1-2-4-3-7-6-5-4/h3H,2H2,1H3
InChIKeyCQQKDILFHPKTLK-UHFFFAOYSA-N
XLogP1.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1,2,3-thiadiazole
CID 355841
2-(1,2,3-Thiadiazol-4-yl)acetonitrile
CID 23165058
4-(1-Chloroethyl)-1,2,3-thiadiazole
CID 121552983
4-t-Butyl-1,2,3-thiadiazole
CID 2748877
4-Propylthiadiazole
CID 12679018
4-Isopropyl-[1,2,3]thiadiazole
CID 12522270
4-(Methylsulfanylmethyl)thiadiazole
CID 85680433
4-Butylthiadiazole
CID 19903308
4-Thioacetyl-1,2,3-thiadiazole
CID 129743940
4-(2,2,2-Trifluoroethyl)thiadiazole
CID 153817692
(1,2,3-Thiadiazol-4-yl)methanethiol
CID 14370536
4-(2-Chloroethyl)thiadiazole
CID 21832063

Frequently Asked Questions

What is the IUPAC name of 4-ethylthiadiazole?
The IUPAC name of 4-ethylthiadiazole (CID 13427198) is 4-ethylthiadiazole.
What is the SMILES notation for 4-ethylthiadiazole?
The canonical SMILES for 4-ethylthiadiazole is CCc1csnn1.
What is the InChIKey of 4-ethylthiadiazole?
The InChIKey is CQQKDILFHPKTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S/c1-2-4-3-7-6-5-4/h3H,2H2,1H3.
What are the key properties of 4-ethylthiadiazole?
4-ethylthiadiazole has a molecular weight of 114.17 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylthiadiazole is sourced from PubChem (CID 13427198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).