(2R)-N-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-(hydroxymethyl)morpholine-4-carboxamide

C14H15ClN4O3S — CID 164631171

IUPAC(2R)-N-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-(hydroxymethyl)morpholine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2Cl)ns1)N1CCO[C@@H](CO)C1
InChIInChI=1S/C14H15ClN4O3S/c15-11-4-2-1-3-10(11)12-16-13(23-18-12)17-14(21)19-5-6-22-9(7-19)8-20/h1-4,9,20H,5-8H2,(H,16,17,18,21)/t9-/m1/s1
InChIKeyQLECDMUJWWKUHN-SECBINFHSA-N
MW354.82 g/mol
LogP2.08
Rot. Bonds3

About (2R)-N-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-(hydroxymethyl)morpholine-4-carboxamide

(2R)-N-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-(hydroxymethyl)morpholine-4-carboxamide (PubChem CID 164631171) has the molecular formula C14H15ClN4O3S and a molecular weight of 354.82 g/mol. Its IUPAC name is (2R)-N-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-(hydroxymethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-(hydroxymethyl)morpholine-4-carboxamide
PubChem CID164631171
Molecular FormulaC14H15ClN4O3S
Molecular Weight354.82 g/mol
Exact Mass354.06
IUPAC Name(2R)-N-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-(hydroxymethyl)morpholine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2Cl)ns1)N1CCO[C@@H](CO)C1
InChIInChI=1S/C14H15ClN4O3S/c15-11-4-2-1-3-10(11)12-16-13(23-18-12)17-14(21)19-5-6-22-9(7-19)8-20/h1-4,9,20H,5-8H2,(H,16,17,18,21)/t9-/m1/s1
InChIKeyQLECDMUJWWKUHN-SECBINFHSA-N
XLogP2.08
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-(hydroxymethyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-N-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-(hydroxymethyl)morpholine-4-carboxamide (CID 164631171) is (2R)-N-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-(hydroxymethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-(hydroxymethyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-(hydroxymethyl)morpholine-4-carboxamide is O=C(Nc1nc(-c2ccccc2Cl)ns1)N1CCO[C@@H](CO)C1.
What is the InChIKey of (2R)-N-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-(hydroxymethyl)morpholine-4-carboxamide?
The InChIKey is QLECDMUJWWKUHN-SECBINFHSA-N. The full InChI is InChI=1S/C14H15ClN4O3S/c15-11-4-2-1-3-10(11)12-16-13(23-18-12)17-14(21)19-5-6-22-9(7-19)8-20/h1-4,9,20H,5-8H2,(H,16,17,18,21)/t9-/m1/s1.
What are the key properties of (2R)-N-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-(hydroxymethyl)morpholine-4-carboxamide?
(2R)-N-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-(hydroxymethyl)morpholine-4-carboxamide has a molecular weight of 354.82 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(2-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-(hydroxymethyl)morpholine-4-carboxamide is sourced from PubChem (CID 164631171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).