(4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone

C16H24N2O2S — CID 124832131

IUPAC(4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
SMILESCCC1CCC(C(=O)N2CCO[C@@H](c3nccs3)C2)CC1
InChIInChI=1S/C16H24N2O2S/c1-2-12-3-5-13(6-4-12)16(19)18-8-9-20-14(11-18)15-17-7-10-21-15/h7,10,12-14H,2-6,8-9,11H2,1H3/t12?,13?,14-/m1/s1
InChIKeyWHDNZXRPLQSPTO-JXQTWKCFSA-N
MW308.45 g/mol
LogP3.26
Rot. Bonds3

About (4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone

(4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 124832131) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
PubChem CID124832131
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name(4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
SMILESCCC1CCC(C(=O)N2CCO[C@@H](c3nccs3)C2)CC1
InChIInChI=1S/C16H24N2O2S/c1-2-12-3-5-13(6-4-12)16(19)18-8-9-20-14(11-18)15-17-7-10-21-15/h7,10,12-14H,2-6,8-9,11H2,1H3/t12?,13?,14-/m1/s1
InChIKeyWHDNZXRPLQSPTO-JXQTWKCFSA-N
XLogP3.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 124699789
[(1S,3R)-3-aminocyclopentyl]-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 125119764
N-methyl-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 127308401
(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 119874237
N-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 167965443
(5-methyl-1,3-oxazol-2-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 154738404
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
(2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124624197
6-ethyl-5-methyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 167845537
N-(2-chloro-6-methylphenyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 75509283
1-[4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pentan-2-yl]piperidin-2-one
CID 136513895
6-cyclopropyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 136563727

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone (CID 124832131) is (4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone is CCC1CCC(C(=O)N2CCO[C@@H](c3nccs3)C2)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is WHDNZXRPLQSPTO-JXQTWKCFSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-2-12-3-5-13(6-4-12)16(19)18-8-9-20-14(11-18)15-17-7-10-21-15/h7,10,12-14H,2-6,8-9,11H2,1H3/t12?,13?,14-/m1/s1.
What are the key properties of (4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone?
(4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 308.45 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 124832131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).