1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone

C16H24N2O2S — CID 124737612

IUPAC1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone
SMILESCC(C)(C)c1csc([C@H]2CN(C(=O)CC3CC3)CCO2)n1
InChIInChI=1S/C16H24N2O2S/c1-16(2,3)13-10-21-15(17-13)12-9-18(6-7-20-12)14(19)8-11-4-5-11/h10-12H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyPULDIPGDRNBVCA-GFCCVEGCSA-N
MW308.45 g/mol
LogP3.14
Rot. Bonds3

About 1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone

1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone (PubChem CID 124737612) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone.

Molecular Properties

Compound Name1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone
PubChem CID124737612
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone
SMILESCC(C)(C)c1csc([C@H]2CN(C(=O)CC3CC3)CCO2)n1
InChIInChI=1S/C16H24N2O2S/c1-16(2,3)13-10-21-15(17-13)12-9-18(6-7-20-12)14(19)8-11-4-5-11/h10-12H,4-9H2,1-3H3/t12-/m1/s1
InChIKeyPULDIPGDRNBVCA-GFCCVEGCSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone with MolForge

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Related Compounds

[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 124726438
2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid
CID 124681690
[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 100746996
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine
CID 99840275
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholine-4-carboxamide
CID 128641736
2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 73439823
3-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]butanenitrile
CID 86772841
2-cyclohexyl-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
CID 121134744
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine
CID 95144845
4-acetyl-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile
CID 133457235
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine
CID 100683282
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine
CID 94782519

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone?
The IUPAC name of 1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone (CID 124737612) is 1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone.
What is the SMILES notation for 1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone?
The canonical SMILES for 1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone is CC(C)(C)c1csc([C@H]2CN(C(=O)CC3CC3)CCO2)n1.
What is the InChIKey of 1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone?
The InChIKey is PULDIPGDRNBVCA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-16(2,3)13-10-21-15(17-13)12-9-18(6-7-20-12)14(19)8-11-4-5-11/h10-12H,4-9H2,1-3H3/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone?
1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone has a molecular weight of 308.45 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone is sourced from PubChem (CID 124737612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).