1-[1-(4-chloro-1,2,5-thiadiazol-3-yl)azetidin-3-yl]-N,N-dimethylmethanamine

C8H13ClN4S — CID 130847613

IUPAC1-[1-(4-chloro-1,2,5-thiadiazol-3-yl)azetidin-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CN(c2nsnc2Cl)C1
InChIInChI=1S/C8H13ClN4S/c1-12(2)3-6-4-13(5-6)8-7(9)10-14-11-8/h6H,3-5H2,1-2H3
InChIKeyPRFQEGAGJCBRCN-UHFFFAOYSA-N
MW232.74 g/mol
LogP1.19
Rot. Bonds3

About 1-[1-(4-chloro-1,2,5-thiadiazol-3-yl)azetidin-3-yl]-N,N-dimethylmethanamine

1-[1-(4-chloro-1,2,5-thiadiazol-3-yl)azetidin-3-yl]-N,N-dimethylmethanamine (PubChem CID 130847613) has the molecular formula C8H13ClN4S and a molecular weight of 232.74 g/mol. Its IUPAC name is 1-[1-(4-chloro-1,2,5-thiadiazol-3-yl)azetidin-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chloro-1,2,5-thiadiazol-3-yl)azetidin-3-yl]-N,N-dimethylmethanamine
PubChem CID130847613
Molecular FormulaC8H13ClN4S
Molecular Weight232.74 g/mol
Exact Mass232.05
IUPAC Name1-[1-(4-chloro-1,2,5-thiadiazol-3-yl)azetidin-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CN(c2nsnc2Cl)C1
InChIInChI=1S/C8H13ClN4S/c1-12(2)3-6-4-13(5-6)8-7(9)10-14-11-8/h6H,3-5H2,1-2H3
InChIKeyPRFQEGAGJCBRCN-UHFFFAOYSA-N
XLogP1.19
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-1,2,5-thiadiazol-3-yl)azetidin-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(4-chloro-1,2,5-thiadiazol-3-yl)azetidin-3-yl]-N,N-dimethylmethanamine (CID 130847613) is 1-[1-(4-chloro-1,2,5-thiadiazol-3-yl)azetidin-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(4-chloro-1,2,5-thiadiazol-3-yl)azetidin-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(4-chloro-1,2,5-thiadiazol-3-yl)azetidin-3-yl]-N,N-dimethylmethanamine is CN(C)CC1CN(c2nsnc2Cl)C1.
What is the InChIKey of 1-[1-(4-chloro-1,2,5-thiadiazol-3-yl)azetidin-3-yl]-N,N-dimethylmethanamine?
The InChIKey is PRFQEGAGJCBRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4S/c1-12(2)3-6-4-13(5-6)8-7(9)10-14-11-8/h6H,3-5H2,1-2H3.
What are the key properties of 1-[1-(4-chloro-1,2,5-thiadiazol-3-yl)azetidin-3-yl]-N,N-dimethylmethanamine?
1-[1-(4-chloro-1,2,5-thiadiazol-3-yl)azetidin-3-yl]-N,N-dimethylmethanamine has a molecular weight of 232.74 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-1,2,5-thiadiazol-3-yl)azetidin-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 130847613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).