3-(azetidin-1-ylmethyl)-5-chloro-1,2,4-thiadiazole

C6H8ClN3S — CID 130649612

IUPAC3-(azetidin-1-ylmethyl)-5-chloro-1,2,4-thiadiazole
SMILESClc1nc(CN2CCC2)ns1
InChIInChI=1S/C6H8ClN3S/c7-6-8-5(9-11-6)4-10-2-1-3-10/h1-4H2
InChIKeyZIWCCXLBWUQDPD-UHFFFAOYSA-N
MW189.67 g/mol
LogP1.40
Rot. Bonds2

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

3-(azetidin-1-ylmethyl)-5-chloro-1,2,4-thiadiazole (PubChem CID 130649612) has the molecular formula C6H8ClN3S and a molecular weight of 189.67 g/mol. Its IUPAC name is 3-(azetidin-1-ylmethyl)-5-chloro-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(azetidin-1-ylmethyl)-5-chloro-1,2,4-thiadiazole
PubChem CID130649612
Molecular FormulaC6H8ClN3S
Molecular Weight189.67 g/mol
Exact Mass189.01
IUPAC Name3-(azetidin-1-ylmethyl)-5-chloro-1,2,4-thiadiazole
SMILESClc1nc(CN2CCC2)ns1
InChIInChI=1S/C6H8ClN3S/c7-6-8-5(9-11-6)4-10-2-1-3-10/h1-4H2
InChIKeyZIWCCXLBWUQDPD-UHFFFAOYSA-N
XLogP1.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 130855954
(5-chloro-1,2,4-thiadiazol-3-yl)methanethiol
CID 88870033
2-(azetidin-1-ylmethyl)pyrimidine
CID 141298122
[3-(azetidin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 130627522
6-(pyrrolidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 130685335
5-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 133369826
[2-(pyrrolidin-1-ylmethyl)pyrimidin-5-yl]boronic acid
CID 163797816
4-(azetidin-1-ylmethyl)-1,3,5-triazin-2-amine
CID 130618237
5-chloro-3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazole
CID 46318460
2-(azepan-1-ylmethyl)-8-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 117257999
3-(pyrrolidin-1-ylmethyl)-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
CID 131889257
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1,2,4-oxadiazole;dihydrochloride
CID 54592664

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-1-ylmethyl)-5-chloro-1,2,4-thiadiazole?
The IUPAC name of 3-(azetidin-1-ylmethyl)-5-chloro-1,2,4-thiadiazole (CID 130649612) is 3-(azetidin-1-ylmethyl)-5-chloro-1,2,4-thiadiazole.
What is the SMILES notation for 3-(azetidin-1-ylmethyl)-5-chloro-1,2,4-thiadiazole?
The canonical SMILES for 3-(azetidin-1-ylmethyl)-5-chloro-1,2,4-thiadiazole is Clc1nc(CN2CCC2)ns1.
What is the InChIKey of 3-(azetidin-1-ylmethyl)-5-chloro-1,2,4-thiadiazole?
The InChIKey is ZIWCCXLBWUQDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3S/c7-6-8-5(9-11-6)4-10-2-1-3-10/h1-4H2.
What are the key properties of 3-(azetidin-1-ylmethyl)-5-chloro-1,2,4-thiadiazole?
3-(azetidin-1-ylmethyl)-5-chloro-1,2,4-thiadiazole has a molecular weight of 189.67 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-ylmethyl)-5-chloro-1,2,4-thiadiazole is sourced from PubChem (CID 130649612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).