5-(4-chloro-2,3-dihydroindol-1-yl)-3-cyclopropyl-1,2,4-thiadiazole

C13H12ClN3S — CID 133429968

IUPAC5-(4-chloro-2,3-dihydroindol-1-yl)-3-cyclopropyl-1,2,4-thiadiazole
SMILESClc1cccc2c1CCN2c1nc(C2CC2)ns1
InChIInChI=1S/C13H12ClN3S/c14-10-2-1-3-11-9(10)6-7-17(11)13-15-12(16-18-13)8-4-5-8/h1-3,8H,4-7H2
InChIKeyBIPAMPBNBCZMBA-UHFFFAOYSA-N
MW277.78 g/mol
LogP3.76
Rot. Bonds2

About 5-(4-chloro-2,3-dihydroindol-1-yl)-3-cyclopropyl-1,2,4-thiadiazole

5-(4-chloro-2,3-dihydroindol-1-yl)-3-cyclopropyl-1,2,4-thiadiazole (PubChem CID 133429968) has the molecular formula C13H12ClN3S and a molecular weight of 277.78 g/mol. Its IUPAC name is 5-(4-chloro-2,3-dihydroindol-1-yl)-3-cyclopropyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-chloro-2,3-dihydroindol-1-yl)-3-cyclopropyl-1,2,4-thiadiazole
PubChem CID133429968
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC Name5-(4-chloro-2,3-dihydroindol-1-yl)-3-cyclopropyl-1,2,4-thiadiazole
SMILESClc1cccc2c1CCN2c1nc(C2CC2)ns1
InChIInChI=1S/C13H12ClN3S/c14-10-2-1-3-11-9(10)6-7-17(11)13-15-12(16-18-13)8-4-5-8/h1-3,8H,4-7H2
InChIKeyBIPAMPBNBCZMBA-UHFFFAOYSA-N
XLogP3.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2,3-dihydroindol-1-yl)-3-cyclopropyl-1,2,4-thiadiazole?
The IUPAC name of 5-(4-chloro-2,3-dihydroindol-1-yl)-3-cyclopropyl-1,2,4-thiadiazole (CID 133429968) is 5-(4-chloro-2,3-dihydroindol-1-yl)-3-cyclopropyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-chloro-2,3-dihydroindol-1-yl)-3-cyclopropyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-chloro-2,3-dihydroindol-1-yl)-3-cyclopropyl-1,2,4-thiadiazole is Clc1cccc2c1CCN2c1nc(C2CC2)ns1.
What is the InChIKey of 5-(4-chloro-2,3-dihydroindol-1-yl)-3-cyclopropyl-1,2,4-thiadiazole?
The InChIKey is BIPAMPBNBCZMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S/c14-10-2-1-3-11-9(10)6-7-17(11)13-15-12(16-18-13)8-4-5-8/h1-3,8H,4-7H2.
What are the key properties of 5-(4-chloro-2,3-dihydroindol-1-yl)-3-cyclopropyl-1,2,4-thiadiazole?
5-(4-chloro-2,3-dihydroindol-1-yl)-3-cyclopropyl-1,2,4-thiadiazole has a molecular weight of 277.78 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2,3-dihydroindol-1-yl)-3-cyclopropyl-1,2,4-thiadiazole is sourced from PubChem (CID 133429968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).