4-[(1R)-1-chloroethyl]thiadiazole

C4H5ClN2S — CID 125181141

IUPAC4-[(1R)-1-chloroethyl]thiadiazole
SMILESC[C@@H](Cl)c1csnn1
InChIInChI=1S/C4H5ClN2S/c1-3(5)4-2-8-7-6-4/h2-3H,1H3/t3-/m1/s1
InChIKeyZWXDOEAAEUGFEN-GSVOUGTGSA-N
MW148.62 g/mol
LogP1.84
Rot. Bonds1

About 4-[(1R)-1-chloroethyl]thiadiazole

4-[(1R)-1-chloroethyl]thiadiazole (PubChem CID 125181141) has the molecular formula C4H5ClN2S and a molecular weight of 148.62 g/mol. Its IUPAC name is 4-[(1R)-1-chloroethyl]thiadiazole.

Molecular Properties

Compound Name4-[(1R)-1-chloroethyl]thiadiazole
PubChem CID125181141
Molecular FormulaC4H5ClN2S
Molecular Weight148.62 g/mol
Exact Mass147.99
IUPAC Name4-[(1R)-1-chloroethyl]thiadiazole
SMILESC[C@@H](Cl)c1csnn1
InChIInChI=1S/C4H5ClN2S/c1-3(5)4-2-8-7-6-4/h2-3H,1H3/t3-/m1/s1
InChIKeyZWXDOEAAEUGFEN-GSVOUGTGSA-N
XLogP1.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.62
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(Chloromethyl)-1,2,3-thiadiazole
CID 14370534
4-(1-Chloroethyl)-1,2,3-thiadiazole
CID 121552983
Ethyl thiadiazole
CID 13427198
4-Thioacetyl-1,2,3-thiadiazole
CID 129743940
4-(Dichloromethyl)thiadiazole
CID 10702275
4-(2-Chloroethyl)thiadiazole
CID 21832063
2-(Thiadiazol-4-yl)ethanethial
CID 54156344
1-(Thiadiazol-4-yl)ethanethiol
CID 57115605
4-(1-Chloroprop-2-enyl)thiadiazole
CID 70576360
4-(3-Chloropropyl)-1,2,3-thiadiazole
CID 130550084
1,2-Dichloroethane;4-propan-2-ylthiadiazole
CID 160851276
4-(3-Chloroprop-2-enyl)thiadiazole
CID 173439544

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-chloroethyl]thiadiazole?
The IUPAC name of 4-[(1R)-1-chloroethyl]thiadiazole (CID 125181141) is 4-[(1R)-1-chloroethyl]thiadiazole.
What is the SMILES notation for 4-[(1R)-1-chloroethyl]thiadiazole?
The canonical SMILES for 4-[(1R)-1-chloroethyl]thiadiazole is C[C@@H](Cl)c1csnn1.
What is the InChIKey of 4-[(1R)-1-chloroethyl]thiadiazole?
The InChIKey is ZWXDOEAAEUGFEN-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H5ClN2S/c1-3(5)4-2-8-7-6-4/h2-3H,1H3/t3-/m1/s1.
What are the key properties of 4-[(1R)-1-chloroethyl]thiadiazole?
4-[(1R)-1-chloroethyl]thiadiazole has a molecular weight of 148.62 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-chloroethyl]thiadiazole is sourced from PubChem (CID 125181141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).