1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methylazetidin-3-ol

C7H10ClN3OS — CID 80607186

IUPAC1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methylazetidin-3-ol
SMILESCC1(O)CN(Cc2nnc(Cl)s2)C1
InChIInChI=1S/C7H10ClN3OS/c1-7(12)3-11(4-7)2-5-9-10-6(8)13-5/h12H,2-4H2,1H3
InChIKeyOPFVCMLLMOMHCC-UHFFFAOYSA-N
MW219.70 g/mol
LogP0.76
Rot. Bonds2

About 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methylazetidin-3-ol

1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methylazetidin-3-ol (PubChem CID 80607186) has the molecular formula C7H10ClN3OS and a molecular weight of 219.70 g/mol. Its IUPAC name is 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methylazetidin-3-ol
PubChem CID80607186
Molecular FormulaC7H10ClN3OS
Molecular Weight219.70 g/mol
Exact Mass219.02
IUPAC Name1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methylazetidin-3-ol
SMILESCC1(O)CN(Cc2nnc(Cl)s2)C1
InChIInChI=1S/C7H10ClN3OS/c1-7(12)3-11(4-7)2-5-9-10-6(8)13-5/h12H,2-4H2,1H3
InChIKeyOPFVCMLLMOMHCC-UHFFFAOYSA-N
XLogP0.76
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.70
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methylazetidin-3-ol?
The IUPAC name of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methylazetidin-3-ol (CID 80607186) is 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methylazetidin-3-ol.
What is the SMILES notation for 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methylazetidin-3-ol?
The canonical SMILES for 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methylazetidin-3-ol is CC1(O)CN(Cc2nnc(Cl)s2)C1.
What is the InChIKey of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methylazetidin-3-ol?
The InChIKey is OPFVCMLLMOMHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3OS/c1-7(12)3-11(4-7)2-5-9-10-6(8)13-5/h12H,2-4H2,1H3.
What are the key properties of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methylazetidin-3-ol?
1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methylazetidin-3-ol has a molecular weight of 219.70 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-methylazetidin-3-ol is sourced from PubChem (CID 80607186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).