3-chloro-5-propan-2-yl-1,2,4-thiadiazole

C5H7ClN2S — CID 121023533

IUPAC3-chloro-5-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nc(Cl)ns1
InChIInChI=1S/C5H7ClN2S/c1-3(2)4-7-5(6)8-9-4/h3H,1-2H3
InChIKeyYSMOXZMJCPKPCR-UHFFFAOYSA-N
MW162.65 g/mol
LogP2.31
Rot. Bonds1

About 3-chloro-5-propan-2-yl-1,2,4-thiadiazole

3-chloro-5-propan-2-yl-1,2,4-thiadiazole (PubChem CID 121023533) has the molecular formula C5H7ClN2S and a molecular weight of 162.65 g/mol. Its IUPAC name is 3-chloro-5-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-propan-2-yl-1,2,4-thiadiazole
PubChem CID121023533
Molecular FormulaC5H7ClN2S
Molecular Weight162.65 g/mol
Exact Mass162.00
IUPAC Name3-chloro-5-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nc(Cl)ns1
InChIInChI=1S/C5H7ClN2S/c1-3(2)4-7-5(6)8-9-4/h3H,1-2H3
InChIKeyYSMOXZMJCPKPCR-UHFFFAOYSA-N
XLogP2.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.65
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-1,2,4-thiadiazol-3-amine
CID 12246463
5-(Propan-2-yl)-1,2,4-thiadiazol-3-amine
CID 12246467
5-Chloro-3-ethyl-1,2,4-thiadiazole
CID 14763517
5-(Chloromethyl)-3-(propan-2-yl)-1,2,4-thiadiazole
CID 17832095
5-Cyclopropyl-1,2,4-thiadiazol-3-amine
CID 64538822
5-(Chloromethyl)-3-ethyl-1,2,4-thiadiazole
CID 67258054
3,5-Diethyl-1,2,4-thiadiazole
CID 67571441
5-Propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 59300522
5-Propan-2-yl-3-(trifluoromethoxy)-1,2,4-thiadiazole
CID 144946119
5-Tert-butyl-3-fluoro-1,2,4-thiadiazole
CID 146378409
5-(2-Methylpropyl)-1,2,4-thiadiazol-3-amine
CID 64543255
5-Propyl-1,2,4-thiadiazol-3-amine
CID 12246464

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-propan-2-yl-1,2,4-thiadiazole (CID 121023533) is 3-chloro-5-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nc(Cl)ns1.
What is the InChIKey of 3-chloro-5-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is YSMOXZMJCPKPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2S/c1-3(2)4-7-5(6)8-9-4/h3H,1-2H3.
What are the key properties of 3-chloro-5-propan-2-yl-1,2,4-thiadiazole?
3-chloro-5-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 162.65 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 121023533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).