(2S)-4-(5-bromo-4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)morpholine

C13H14BrN3OS — CID 97327976

IUPAC(2S)-4-(5-bromo-4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)morpholine
SMILESCc1cc(N2CCO[C@H](c3nccs3)C2)ncc1Br
InChIInChI=1S/C13H14BrN3OS/c1-9-6-12(16-7-10(9)14)17-3-4-18-11(8-17)13-15-2-5-19-13/h2,5-7,11H,3-4,8H2,1H3/t11-/m0/s1
InChIKeyMOKCEBPWTJEHAQ-NSHDSACASA-N
MW340.25 g/mol
LogP3.19
Rot. Bonds2

About (2S)-4-(5-bromo-4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)morpholine

(2S)-4-(5-bromo-4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)morpholine (PubChem CID 97327976) has the molecular formula C13H14BrN3OS and a molecular weight of 340.25 g/mol. Its IUPAC name is (2S)-4-(5-bromo-4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-(5-bromo-4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)morpholine
PubChem CID97327976
Molecular FormulaC13H14BrN3OS
Molecular Weight340.25 g/mol
Exact Mass339.00
IUPAC Name(2S)-4-(5-bromo-4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)morpholine
SMILESCc1cc(N2CCO[C@H](c3nccs3)C2)ncc1Br
InChIInChI=1S/C13H14BrN3OS/c1-9-6-12(16-7-10(9)14)17-3-4-18-11(8-17)13-15-2-5-19-13/h2,5-7,11H,3-4,8H2,1H3/t11-/m0/s1
InChIKeyMOKCEBPWTJEHAQ-NSHDSACASA-N
XLogP3.19
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one
CID 133464320
6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 122053464
(2S)-4-imidazo[1,2-a]pyrazin-8-yl-2-(1,3-thiazol-2-yl)morpholine
CID 164634498
(2S)-4-[(5-methylpyrazin-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
CID 95156937
N-[(2S,3R)-2-propan-2-yloxan-3-yl]-6-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-amine
CID 129474501
2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]benzene-1,3-dicarbonitrile
CID 154840622
4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine
CID 115773933
1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine
CID 114869588
5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine
CID 114869912
N-methyl-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 127308401
4-(1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine
CID 86774924
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830363

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(5-bromo-4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)morpholine?
The IUPAC name of (2S)-4-(5-bromo-4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)morpholine (CID 97327976) is (2S)-4-(5-bromo-4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for (2S)-4-(5-bromo-4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)morpholine?
The canonical SMILES for (2S)-4-(5-bromo-4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)morpholine is Cc1cc(N2CCO[C@H](c3nccs3)C2)ncc1Br.
What is the InChIKey of (2S)-4-(5-bromo-4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)morpholine?
The InChIKey is MOKCEBPWTJEHAQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H14BrN3OS/c1-9-6-12(16-7-10(9)14)17-3-4-18-11(8-17)13-15-2-5-19-13/h2,5-7,11H,3-4,8H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-4-(5-bromo-4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)morpholine?
(2S)-4-(5-bromo-4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)morpholine has a molecular weight of 340.25 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(5-bromo-4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 97327976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).