(2S)-2-(2-chloro-4-fluorophenyl)-4-(thiadiazol-4-ylmethyl)morpholine

C13H13ClFN3OS — CID 124619492

IUPAC(2S)-2-(2-chloro-4-fluorophenyl)-4-(thiadiazol-4-ylmethyl)morpholine
SMILESFc1ccc([C@H]2CN(Cc3csnn3)CCO2)c(Cl)c1
InChIInChI=1S/C13H13ClFN3OS/c14-12-5-9(15)1-2-11(12)13-7-18(3-4-19-13)6-10-8-20-17-16-10/h1-2,5,8,13H,3-4,6-7H2/t13-/m1/s1
InChIKeyQDBXORXYALOMOV-CYBMUJFWSA-N
MW313.78 g/mol
LogP2.90
Rot. Bonds3

About (2S)-2-(2-chloro-4-fluorophenyl)-4-(thiadiazol-4-ylmethyl)morpholine

(2S)-2-(2-chloro-4-fluorophenyl)-4-(thiadiazol-4-ylmethyl)morpholine (PubChem CID 124619492) has the molecular formula C13H13ClFN3OS and a molecular weight of 313.78 g/mol. Its IUPAC name is (2S)-2-(2-chloro-4-fluorophenyl)-4-(thiadiazol-4-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(2-chloro-4-fluorophenyl)-4-(thiadiazol-4-ylmethyl)morpholine
PubChem CID124619492
Molecular FormulaC13H13ClFN3OS
Molecular Weight313.78 g/mol
Exact Mass313.05
IUPAC Name(2S)-2-(2-chloro-4-fluorophenyl)-4-(thiadiazol-4-ylmethyl)morpholine
SMILESFc1ccc([C@H]2CN(Cc3csnn3)CCO2)c(Cl)c1
InChIInChI=1S/C13H13ClFN3OS/c14-12-5-9(15)1-2-11(12)13-7-18(3-4-19-13)6-10-8-20-17-16-10/h1-2,5,8,13H,3-4,6-7H2/t13-/m1/s1
InChIKeyQDBXORXYALOMOV-CYBMUJFWSA-N
XLogP2.90
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chloro-4-fluorophenyl)-4-(thiadiazol-4-ylmethyl)morpholine?
The IUPAC name of (2S)-2-(2-chloro-4-fluorophenyl)-4-(thiadiazol-4-ylmethyl)morpholine (CID 124619492) is (2S)-2-(2-chloro-4-fluorophenyl)-4-(thiadiazol-4-ylmethyl)morpholine.
What is the SMILES notation for (2S)-2-(2-chloro-4-fluorophenyl)-4-(thiadiazol-4-ylmethyl)morpholine?
The canonical SMILES for (2S)-2-(2-chloro-4-fluorophenyl)-4-(thiadiazol-4-ylmethyl)morpholine is Fc1ccc([C@H]2CN(Cc3csnn3)CCO2)c(Cl)c1.
What is the InChIKey of (2S)-2-(2-chloro-4-fluorophenyl)-4-(thiadiazol-4-ylmethyl)morpholine?
The InChIKey is QDBXORXYALOMOV-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H13ClFN3OS/c14-12-5-9(15)1-2-11(12)13-7-18(3-4-19-13)6-10-8-20-17-16-10/h1-2,5,8,13H,3-4,6-7H2/t13-/m1/s1.
What are the key properties of (2S)-2-(2-chloro-4-fluorophenyl)-4-(thiadiazol-4-ylmethyl)morpholine?
(2S)-2-(2-chloro-4-fluorophenyl)-4-(thiadiazol-4-ylmethyl)morpholine has a molecular weight of 313.78 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chloro-4-fluorophenyl)-4-(thiadiazol-4-ylmethyl)morpholine is sourced from PubChem (CID 124619492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).