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

C13H13Cl2N3OS — CID 126803952

IUPAC4-(3,5-dichloro-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc(C2CN(c3ncc(Cl)cc3Cl)CCO2)n1
InChIInChI=1S/C13H13Cl2N3OS/c1-8-7-20-13(17-8)11-6-18(2-3-19-11)12-10(15)4-9(14)5-16-12/h4-5,7,11H,2-3,6H2,1H3
InChIKeyNQUJZIMPJIKCOV-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.73
Rot. Bonds2

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

4-(3,5-dichloro-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine (PubChem CID 126803952) has the molecular formula C13H13Cl2N3OS and a molecular weight of 330.24 g/mol. Its IUPAC name is 4-(3,5-dichloro-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(3,5-dichloro-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
PubChem CID126803952
Molecular FormulaC13H13Cl2N3OS
Molecular Weight330.24 g/mol
Exact Mass329.02
IUPAC Name4-(3,5-dichloro-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc(C2CN(c3ncc(Cl)cc3Cl)CCO2)n1
InChIInChI=1S/C13H13Cl2N3OS/c1-8-7-20-13(17-8)11-6-18(2-3-19-11)12-10(15)4-9(14)5-16-12/h4-5,7,11H,2-3,6H2,1H3
InChIKeyNQUJZIMPJIKCOV-UHFFFAOYSA-N
XLogP3.73
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methyl-4-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 133464291
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine
CID 95138385
(2R)-4-(3,5-dichloro-2-pyridinyl)-2-(1-ethylpyrazol-4-yl)morpholine
CID 100646745
(2S)-4-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 97073743
4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 166190766
2-(bromomethyl)-4-(3,5-dichloro-2-pyridinyl)morpholine
CID 81210900
(2R)-4-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 100667020
[1-[6-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133300552
(5-chloro-2-hydroxyphenyl)-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 154755989
(2R)-4-(2,3-dihydrotetrazolo[1,5-a]pyridin-6-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine;hydroiodide
CID 177329076
(3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol
CID 107225530
4-[2-(3,4-difluorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 136516008

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-(3,5-dichloro-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine (CID 126803952) is 4-(3,5-dichloro-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-(3,5-dichloro-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-(3,5-dichloro-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine is Cc1csc(C2CN(c3ncc(Cl)cc3Cl)CCO2)n1.
What is the InChIKey of 4-(3,5-dichloro-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is NQUJZIMPJIKCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3OS/c1-8-7-20-13(17-8)11-6-18(2-3-19-11)12-10(15)4-9(14)5-16-12/h4-5,7,11H,2-3,6H2,1H3.
What are the key properties of 4-(3,5-dichloro-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
4-(3,5-dichloro-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 330.24 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 126803952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).