3-chloro-5-cyclopropyl-1,2,4-thiadiazole

C5H5ClN2S — CID 119106312

IUPAC3-chloro-5-cyclopropyl-1,2,4-thiadiazole
SMILESClc1nsc(C2CC2)n1
InChIInChI=1S/C5H5ClN2S/c6-5-7-4(9-8-5)3-1-2-3/h3H,1-2H2
InChIKeyCLQSSOBUMSYNMS-UHFFFAOYSA-N
MW160.63 g/mol
LogP2.07
Rot. Bonds1

About 3-chloro-5-cyclopropyl-1,2,4-thiadiazole

3-chloro-5-cyclopropyl-1,2,4-thiadiazole (PubChem CID 119106312) has the molecular formula C5H5ClN2S and a molecular weight of 160.63 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-1,2,4-thiadiazole
PubChem CID119106312
Molecular FormulaC5H5ClN2S
Molecular Weight160.63 g/mol
Exact Mass159.99
IUPAC Name3-chloro-5-cyclopropyl-1,2,4-thiadiazole
SMILESClc1nsc(C2CC2)n1
InChIInChI=1S/C5H5ClN2S/c6-5-7-4(9-8-5)3-1-2-3/h3H,1-2H2
InChIKeyCLQSSOBUMSYNMS-UHFFFAOYSA-N
XLogP2.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.63
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyclopropyl-1,2,4-thiadiazol-5-amine
CID 23092533
5-Cyclopropyl-1,2,4-thiadiazol-3-amine
CID 64538822
3-Cyclopropyl-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 91155524
3-(1-Fluorocyclopropyl)-5-methyl-1,2,4-thiadiazole
CID 135170509
5-(2-Methylpropyl)-1,2,4-thiadiazol-3-amine
CID 64543255
5-Chloro-3-cyclopropyl-1,2,4-thiadiazole
CID 20079385
5-Cyclopropyl-1,2,4-thiadiazole
CID 54081873
3-Cyclopropyl-5-propan-2-yl-1,2,4-thiadiazole
CID 59945716
(3-Cyclopropyl-[1,2,4]thiadiazol-5-yl)-acetonitrile
CID 65280750
3-Bromo-5-cyclopropyl-1,2,4-thiadiazole
CID 84672863
3-Cyclopropyl-5-methyl-1,2,4-thiadiazole
CID 90400212
5-Chloro-3-cyclopropyl-1,2,4-thiadiazole;ethane
CID 90867436

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropyl-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-cyclopropyl-1,2,4-thiadiazole (CID 119106312) is 3-chloro-5-cyclopropyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-cyclopropyl-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-cyclopropyl-1,2,4-thiadiazole is Clc1nsc(C2CC2)n1.
What is the InChIKey of 3-chloro-5-cyclopropyl-1,2,4-thiadiazole?
The InChIKey is CLQSSOBUMSYNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2S/c6-5-7-4(9-8-5)3-1-2-3/h3H,1-2H2.
What are the key properties of 3-chloro-5-cyclopropyl-1,2,4-thiadiazole?
3-chloro-5-cyclopropyl-1,2,4-thiadiazole has a molecular weight of 160.63 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropyl-1,2,4-thiadiazole is sourced from PubChem (CID 119106312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).