5-chloro-4-[(2-cyclohexylpyrrolidin-1-yl)methyl]thiadiazole

C13H20ClN3S — CID 47054012

IUPAC5-chloro-4-[(2-cyclohexylpyrrolidin-1-yl)methyl]thiadiazole
SMILESClc1snnc1CN1CCCC1C1CCCCC1
InChIInChI=1S/C13H20ClN3S/c14-13-11(15-16-18-13)9-17-8-4-7-12(17)10-5-2-1-3-6-10/h10,12H,1-9H2
InChIKeySGOSUSVYQJRQKT-UHFFFAOYSA-N
MW285.84 g/mol
LogP3.74
Rot. Bonds3

About 5-chloro-4-[(2-cyclohexylpyrrolidin-1-yl)methyl]thiadiazole

5-chloro-4-[(2-cyclohexylpyrrolidin-1-yl)methyl]thiadiazole (PubChem CID 47054012) has the molecular formula C13H20ClN3S and a molecular weight of 285.84 g/mol. Its IUPAC name is 5-chloro-4-[(2-cyclohexylpyrrolidin-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(2-cyclohexylpyrrolidin-1-yl)methyl]thiadiazole
PubChem CID47054012
Molecular FormulaC13H20ClN3S
Molecular Weight285.84 g/mol
Exact Mass285.11
IUPAC Name5-chloro-4-[(2-cyclohexylpyrrolidin-1-yl)methyl]thiadiazole
SMILESClc1snnc1CN1CCCC1C1CCCCC1
InChIInChI=1S/C13H20ClN3S/c14-13-11(15-16-18-13)9-17-8-4-7-12(17)10-5-2-1-3-6-10/h10,12H,1-9H2
InChIKeySGOSUSVYQJRQKT-UHFFFAOYSA-N
XLogP3.74
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-5-chlorothiadiazole
CID 43408741
N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclopropyl-4-methylcyclohexan-1-amine
CID 47053953
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcyclohexanamine
CID 43408478
5-Chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazole
CID 43408566
N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylcyclohexanamine
CID 43408586
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-chlorothiadiazole
CID 43408894
5-Chloro-4-[(3-ethylpiperidin-1-yl)methyl]thiadiazole
CID 43431270
N-[(5-chlorothiadiazol-4-yl)methyl]-N-cyclohexylcyclohexanamine
CID 43625548
N-[(5-chlorothiadiazol-4-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 47013672
5-Chloro-4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]thiadiazole
CID 48120113
5-Chloro-4-[(4-propylazepan-1-yl)methyl]thiadiazole
CID 48941362
4-[[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-5-chlorothiadiazole
CID 51681854

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-cyclohexylpyrrolidin-1-yl)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(2-cyclohexylpyrrolidin-1-yl)methyl]thiadiazole (CID 47054012) is 5-chloro-4-[(2-cyclohexylpyrrolidin-1-yl)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(2-cyclohexylpyrrolidin-1-yl)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(2-cyclohexylpyrrolidin-1-yl)methyl]thiadiazole is Clc1snnc1CN1CCCC1C1CCCCC1.
What is the InChIKey of 5-chloro-4-[(2-cyclohexylpyrrolidin-1-yl)methyl]thiadiazole?
The InChIKey is SGOSUSVYQJRQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3S/c14-13-11(15-16-18-13)9-17-8-4-7-12(17)10-5-2-1-3-6-10/h10,12H,1-9H2.
What are the key properties of 5-chloro-4-[(2-cyclohexylpyrrolidin-1-yl)methyl]thiadiazole?
5-chloro-4-[(2-cyclohexylpyrrolidin-1-yl)methyl]thiadiazole has a molecular weight of 285.84 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-cyclohexylpyrrolidin-1-yl)methyl]thiadiazole is sourced from PubChem (CID 47054012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).