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

C9H14ClN3OS — CID 80607394

IUPAC1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-ylazetidin-3-ol
SMILESCC(C)C1(O)CN(Cc2nnc(Cl)s2)C1
InChIInChI=1S/C9H14ClN3OS/c1-6(2)9(14)4-13(5-9)3-7-11-12-8(10)15-7/h6,14H,3-5H2,1-2H3
InChIKeyGWXZCZWUHVEQAL-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.39
Rot. Bonds3

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

1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-ylazetidin-3-ol (PubChem CID 80607394) has the molecular formula C9H14ClN3OS and a molecular weight of 247.75 g/mol. Its IUPAC name is 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-ylazetidin-3-ol.

Molecular Properties

Compound Name1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-ylazetidin-3-ol
PubChem CID80607394
Molecular FormulaC9H14ClN3OS
Molecular Weight247.75 g/mol
Exact Mass247.05
IUPAC Name1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-ylazetidin-3-ol
SMILESCC(C)C1(O)CN(Cc2nnc(Cl)s2)C1
InChIInChI=1S/C9H14ClN3OS/c1-6(2)9(14)4-13(5-9)3-7-11-12-8(10)15-7/h6,14H,3-5H2,1-2H3
InChIKeyGWXZCZWUHVEQAL-UHFFFAOYSA-N
XLogP1.39
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.39
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-propan-2-ylazetidin-3-ol?
The IUPAC name of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-ylazetidin-3-ol (CID 80607394) is 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-ylazetidin-3-ol.
What is the SMILES notation for 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-ylazetidin-3-ol?
The canonical SMILES for 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-ylazetidin-3-ol is CC(C)C1(O)CN(Cc2nnc(Cl)s2)C1.
What is the InChIKey of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-ylazetidin-3-ol?
The InChIKey is GWXZCZWUHVEQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3OS/c1-6(2)9(14)4-13(5-9)3-7-11-12-8(10)15-7/h6,14H,3-5H2,1-2H3.
What are the key properties of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-ylazetidin-3-ol?
1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-3-propan-2-ylazetidin-3-ol has a molecular weight of 247.75 g/mol, XLogP of 1.39, 3 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-propan-2-ylazetidin-3-ol is sourced from PubChem (CID 80607394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).