2-chloro-5-(cyclopentylmethyl)-1,3,4-thiadiazole

C8H11ClN2S — CID 63386080

IUPAC2-chloro-5-(cyclopentylmethyl)-1,3,4-thiadiazole
SMILESClc1nnc(CC2CCCC2)s1
InChIInChI=1S/C8H11ClN2S/c9-8-11-10-7(12-8)5-6-3-1-2-4-6/h6H,1-5H2
InChIKeyDOGOYNFSGMACOD-UHFFFAOYSA-N
MW202.71 g/mol
LogP2.92
Rot. Bonds2

About 2-chloro-5-(cyclopentylmethyl)-1,3,4-thiadiazole

2-chloro-5-(cyclopentylmethyl)-1,3,4-thiadiazole (PubChem CID 63386080) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is 2-chloro-5-(cyclopentylmethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(cyclopentylmethyl)-1,3,4-thiadiazole
PubChem CID63386080
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC Name2-chloro-5-(cyclopentylmethyl)-1,3,4-thiadiazole
SMILESClc1nnc(CC2CCCC2)s1
InChIInChI=1S/C8H11ClN2S/c9-8-11-10-7(12-8)5-6-3-1-2-4-6/h6H,1-5H2
InChIKeyDOGOYNFSGMACOD-UHFFFAOYSA-N
XLogP2.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(cyclopentylmethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(cyclopentylmethyl)-1,3,4-thiadiazole (CID 63386080) is 2-chloro-5-(cyclopentylmethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(cyclopentylmethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(cyclopentylmethyl)-1,3,4-thiadiazole is Clc1nnc(CC2CCCC2)s1.
What is the InChIKey of 2-chloro-5-(cyclopentylmethyl)-1,3,4-thiadiazole?
The InChIKey is DOGOYNFSGMACOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S/c9-8-11-10-7(12-8)5-6-3-1-2-4-6/h6H,1-5H2.
What are the key properties of 2-chloro-5-(cyclopentylmethyl)-1,3,4-thiadiazole?
2-chloro-5-(cyclopentylmethyl)-1,3,4-thiadiazole has a molecular weight of 202.71 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(cyclopentylmethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 63386080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).