methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylate

C12H18N2O3S — CID 115422675

IUPACmethyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(C2CN(C(C)C)CCO2)n1
InChIInChI=1S/C12H18N2O3S/c1-8(2)14-4-5-17-10(6-14)11-13-9(7-18-11)12(15)16-3/h7-8,10H,4-6H2,1-3H3
InChIKeyNOEBTTVTRCGJNZ-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.71
Rot. Bonds3

About methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylate

methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 115422675) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID115422675
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Namemethyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(C2CN(C(C)C)CCO2)n1
InChIInChI=1S/C12H18N2O3S/c1-8(2)14-4-5-17-10(6-14)11-13-9(7-18-11)12(15)16-3/h7-8,10H,4-6H2,1-3H3
InChIKeyNOEBTTVTRCGJNZ-UHFFFAOYSA-N
XLogP1.71
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 79657361
4-propan-2-yl-2-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine
CID 112688094
N-[[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79663346
2-(4-phenyl-1,3-thiazol-2-yl)-4-propan-2-ylmorpholine
CID 115611797
4-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]aniline
CID 79665221
methyl 2-[(4R,6R)-3-(2,2-dimethylpropanoyl)-4-propan-2-yl-1,3-oxazinan-6-yl]-1,3-thiazole-4-carboxylate
CID 90338283
5-acetyl-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylic acid
CID 106696292
methyl 2-(oxolan-3-yl)-1,3-thiazole-4-carboxylate
CID 115422170
(2R)-2-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 129426812
methyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 107925304
methyl 2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-1,3-thiazole-4-carboxylate
CID 106600530
methyl 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1,3-thiazole-4-carboxylate
CID 113306992

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylate (CID 115422675) is methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(C2CN(C(C)C)CCO2)n1.
What is the InChIKey of methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is NOEBTTVTRCGJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(2)14-4-5-17-10(6-14)11-13-9(7-18-11)12(15)16-3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylate?
methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115422675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).