N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine

C10H17ClN4S — CID 63207534

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCN(CCN1CCCC1)Cc1nnsc1Cl
InChIInChI=1S/C10H17ClN4S/c1-14(6-7-15-4-2-3-5-15)8-9-10(11)16-13-12-9/h2-8H2,1H3
InChIKeyDBIWVMYKTGUZBC-UHFFFAOYSA-N
MW260.79 g/mol
LogP1.72
Rot. Bonds5

About N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine

N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine (PubChem CID 63207534) has the molecular formula C10H17ClN4S and a molecular weight of 260.79 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
PubChem CID63207534
Molecular FormulaC10H17ClN4S
Molecular Weight260.79 g/mol
Exact Mass260.09
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCN(CCN1CCCC1)Cc1nnsc1Cl
InChIInChI=1S/C10H17ClN4S/c1-14(6-7-15-4-2-3-5-15)8-9-10(11)16-13-12-9/h2-8H2,1H3
InChIKeyDBIWVMYKTGUZBC-UHFFFAOYSA-N
XLogP1.72
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine
CID 43408567
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylcycloheptanamine
CID 43409288
N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]cyclopropanamine
CID 94183920
N-[(5-chlorothiadiazol-4-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 61518000
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 61605739
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 61605814
N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 61606018
N-[(5-chlorothiadiazol-4-yl)methyl]-2,2-difluoro-N-methylethanamine
CID 115611826
5-Chloro-4-[(3,3-difluoropyrrolidin-1-yl)methyl]thiadiazole
CID 131110926
1-[(5-Chloro-1,2,3-thiadiazol-4-yl)methyl]piperidine
CID 1473724
5-Chloro-4-[[4-[(5-chlorothiadiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]thiadiazole
CID 31313744
5-Chloro-4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]thiadiazole
CID 40009962

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine (CID 63207534) is N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine is CN(CCN1CCCC1)Cc1nnsc1Cl.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is DBIWVMYKTGUZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4S/c1-14(6-7-15-4-2-3-5-15)8-9-10(11)16-13-12-9/h2-8H2,1H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 260.79 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 63207534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).