3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2,5-thiadiazole

C10H15ClN4S — CID 61443480

IUPAC3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2,5-thiadiazole
SMILESClc1nsnc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C10H15ClN4S/c11-9-10(13-16-12-9)15-5-3-14(4-6-15)7-8-1-2-8/h8H,1-7H2
InChIKeyNRLZUXQSXQPWRS-UHFFFAOYSA-N
MW258.78 g/mol
LogP1.72
Rot. Bonds3

About 3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2,5-thiadiazole

3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2,5-thiadiazole (PubChem CID 61443480) has the molecular formula C10H15ClN4S and a molecular weight of 258.78 g/mol. Its IUPAC name is 3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2,5-thiadiazole
PubChem CID61443480
Molecular FormulaC10H15ClN4S
Molecular Weight258.78 g/mol
Exact Mass258.07
IUPAC Name3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2,5-thiadiazole
SMILESClc1nsnc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C10H15ClN4S/c11-9-10(13-16-12-9)15-5-3-14(4-6-15)7-8-1-2-8/h8H,1-7H2
InChIKeyNRLZUXQSXQPWRS-UHFFFAOYSA-N
XLogP1.72
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.78
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2,5-thiadiazole (CID 61443480) is 3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2,5-thiadiazole is Clc1nsnc1N1CCN(CC2CC2)CC1.
What is the InChIKey of 3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2,5-thiadiazole?
The InChIKey is NRLZUXQSXQPWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4S/c11-9-10(13-16-12-9)15-5-3-14(4-6-15)7-8-1-2-8/h8H,1-7H2.
What are the key properties of 3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2,5-thiadiazole?
3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2,5-thiadiazole has a molecular weight of 258.78 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2,5-thiadiazole is sourced from PubChem (CID 61443480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).