(2S)-2-(2-pyrimidin-4-ylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine

C14H18N4OS — CID 124941078

IUPAC(2S)-2-(2-pyrimidin-4-ylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
SMILESc1cc(CC[C@H]2CN(Cc3nccs3)CCO2)ncn1
InChIInChI=1S/C14H18N4OS/c1(12-3-4-15-11-17-12)2-13-9-18(6-7-19-13)10-14-16-5-8-20-14/h3-5,8,11,13H,1-2,6-7,9-10H2/t13-/m0/s1
InChIKeyAKSVUEVBTUITEZ-ZDUSSCGKSA-N
MW290.39 g/mol
LogP1.77
Rot. Bonds5

About (2S)-2-(2-pyrimidin-4-ylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine

(2S)-2-(2-pyrimidin-4-ylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine (PubChem CID 124941078) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is (2S)-2-(2-pyrimidin-4-ylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(2-pyrimidin-4-ylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
PubChem CID124941078
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name(2S)-2-(2-pyrimidin-4-ylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
SMILESc1cc(CC[C@H]2CN(Cc3nccs3)CCO2)ncn1
InChIInChI=1S/C14H18N4OS/c1(12-3-4-15-11-17-12)2-13-9-18(6-7-19-13)10-14-16-5-8-20-14/h3-5,8,11,13H,1-2,6-7,9-10H2/t13-/m0/s1
InChIKeyAKSVUEVBTUITEZ-ZDUSSCGKSA-N
XLogP1.77
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(2-pyrimidin-4-ylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
CID 124941077
4-[2-[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844671
(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-pyrimidin-4-ylethyl)morpholine
CID 124989717
N,N-dimethyl-4-[2-[(2R)-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]ethyl]pyridin-2-amine
CID 124997675
[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124986519
[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124986520
pyrimidin-2-yl-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124961131
1-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 125003001
4-[2-[(2R)-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137037874
4-[2-[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844744
(5-methylpyrazin-2-yl)-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 125018190
(5-methylpyrazin-2-yl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116321

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-pyrimidin-4-ylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine?
The IUPAC name of (2S)-2-(2-pyrimidin-4-ylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine (CID 124941078) is (2S)-2-(2-pyrimidin-4-ylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine.
What is the SMILES notation for (2S)-2-(2-pyrimidin-4-ylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine?
The canonical SMILES for (2S)-2-(2-pyrimidin-4-ylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine is c1cc(CC[C@H]2CN(Cc3nccs3)CCO2)ncn1.
What is the InChIKey of (2S)-2-(2-pyrimidin-4-ylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine?
The InChIKey is AKSVUEVBTUITEZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N4OS/c1(12-3-4-15-11-17-12)2-13-9-18(6-7-19-13)10-14-16-5-8-20-14/h3-5,8,11,13H,1-2,6-7,9-10H2/t13-/m0/s1.
What are the key properties of (2S)-2-(2-pyrimidin-4-ylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine?
(2S)-2-(2-pyrimidin-4-ylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine has a molecular weight of 290.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-pyrimidin-4-ylethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine is sourced from PubChem (CID 124941078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).