(6S)-4-methyl-6-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]morpholin-3-one

C14H16N4O2S — CID 164637238

IUPAC(6S)-4-methyl-6-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]morpholin-3-one
SMILESCN1C[C@H](CNc2nnc(-c3ccccc3)s2)OCC1=O
InChIInChI=1S/C14H16N4O2S/c1-18-8-11(20-9-12(18)19)7-15-14-17-16-13(21-14)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyTXPDKHZJSDUZRT-NSHDSACASA-N
MW304.38 g/mol
LogP1.47
Rot. Bonds4

About (6S)-4-methyl-6-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]morpholin-3-one

(6S)-4-methyl-6-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]morpholin-3-one (PubChem CID 164637238) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is (6S)-4-methyl-6-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]morpholin-3-one.

Molecular Properties

Compound Name(6S)-4-methyl-6-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]morpholin-3-one
PubChem CID164637238
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name(6S)-4-methyl-6-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]morpholin-3-one
SMILESCN1C[C@H](CNc2nnc(-c3ccccc3)s2)OCC1=O
InChIInChI=1S/C14H16N4O2S/c1-18-8-11(20-9-12(18)19)7-15-14-17-16-13(21-14)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyTXPDKHZJSDUZRT-NSHDSACASA-N
XLogP1.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6S)-4-methyl-6-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]morpholin-3-one?
The IUPAC name of (6S)-4-methyl-6-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]morpholin-3-one (CID 164637238) is (6S)-4-methyl-6-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]morpholin-3-one.
What is the SMILES notation for (6S)-4-methyl-6-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]morpholin-3-one?
The canonical SMILES for (6S)-4-methyl-6-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]morpholin-3-one is CN1C[C@H](CNc2nnc(-c3ccccc3)s2)OCC1=O.
What is the InChIKey of (6S)-4-methyl-6-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]morpholin-3-one?
The InChIKey is TXPDKHZJSDUZRT-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-18-8-11(20-9-12(18)19)7-15-14-17-16-13(21-14)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,17)/t11-/m0/s1.
What are the key properties of (6S)-4-methyl-6-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]morpholin-3-one?
(6S)-4-methyl-6-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]morpholin-3-one has a molecular weight of 304.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-methyl-6-[[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]morpholin-3-one is sourced from PubChem (CID 164637238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).