(2S)-2-(5-methylpyrazin-2-yl)-4-(1,3-thiazol-5-ylmethyl)morpholine

C13H16N4OS — CID 124983883

IUPAC(2S)-2-(5-methylpyrazin-2-yl)-4-(1,3-thiazol-5-ylmethyl)morpholine
SMILESCc1cnc([C@@H]2CN(Cc3cncs3)CCO2)cn1
InChIInChI=1S/C13H16N4OS/c1-10-4-16-12(6-15-10)13-8-17(2-3-18-13)7-11-5-14-9-19-11/h4-6,9,13H,2-3,7-8H2,1H3/t13-/m0/s1
InChIKeyNGTVKMYXLIDVAA-ZDUSSCGKSA-N
MW276.37 g/mol
LogP1.82
Rot. Bonds3

About (2S)-2-(5-methylpyrazin-2-yl)-4-(1,3-thiazol-5-ylmethyl)morpholine

(2S)-2-(5-methylpyrazin-2-yl)-4-(1,3-thiazol-5-ylmethyl)morpholine (PubChem CID 124983883) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is (2S)-2-(5-methylpyrazin-2-yl)-4-(1,3-thiazol-5-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(5-methylpyrazin-2-yl)-4-(1,3-thiazol-5-ylmethyl)morpholine
PubChem CID124983883
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name(2S)-2-(5-methylpyrazin-2-yl)-4-(1,3-thiazol-5-ylmethyl)morpholine
SMILESCc1cnc([C@@H]2CN(Cc3cncs3)CCO2)cn1
InChIInChI=1S/C13H16N4OS/c1-10-4-16-12(6-15-10)13-8-17(2-3-18-13)7-11-5-14-9-19-11/h4-6,9,13H,2-3,7-8H2,1H3/t13-/m0/s1
InChIKeyNGTVKMYXLIDVAA-ZDUSSCGKSA-N
XLogP1.82
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-methylpyrazin-2-yl)-4-[(2-methylpyrimidin-4-yl)methyl]morpholine
CID 110103266
(2R)-4-(1,3-thiazol-5-ylmethyl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 124615184
5-[[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 125023271
(2R)-4-(cyclohexylmethyl)-2-(5-methylpyrazin-2-yl)morpholine
CID 124965040
(2S)-4-[(5-methylpyrazin-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
CID 95156937
5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 141207736
6-chloro-4-(1,3-thiazol-5-ylmethyl)-1,4-oxazepane
CID 130943461
2-(2,6-dimethylpyrimidin-4-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 110115918
4-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylmorpholine
CID 110103190
5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738462
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 112644427
N,N-dimethyl-6-[(2R)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]pyridin-3-amine
CID 95847906

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methylpyrazin-2-yl)-4-(1,3-thiazol-5-ylmethyl)morpholine?
The IUPAC name of (2S)-2-(5-methylpyrazin-2-yl)-4-(1,3-thiazol-5-ylmethyl)morpholine (CID 124983883) is (2S)-2-(5-methylpyrazin-2-yl)-4-(1,3-thiazol-5-ylmethyl)morpholine.
What is the SMILES notation for (2S)-2-(5-methylpyrazin-2-yl)-4-(1,3-thiazol-5-ylmethyl)morpholine?
The canonical SMILES for (2S)-2-(5-methylpyrazin-2-yl)-4-(1,3-thiazol-5-ylmethyl)morpholine is Cc1cnc([C@@H]2CN(Cc3cncs3)CCO2)cn1.
What is the InChIKey of (2S)-2-(5-methylpyrazin-2-yl)-4-(1,3-thiazol-5-ylmethyl)morpholine?
The InChIKey is NGTVKMYXLIDVAA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-10-4-16-12(6-15-10)13-8-17(2-3-18-13)7-11-5-14-9-19-11/h4-6,9,13H,2-3,7-8H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-(5-methylpyrazin-2-yl)-4-(1,3-thiazol-5-ylmethyl)morpholine?
(2S)-2-(5-methylpyrazin-2-yl)-4-(1,3-thiazol-5-ylmethyl)morpholine has a molecular weight of 276.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methylpyrazin-2-yl)-4-(1,3-thiazol-5-ylmethyl)morpholine is sourced from PubChem (CID 124983883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).