1-[2-(4-propylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone

C12H18N2O2S — CID 79657795

IUPAC1-[2-(4-propylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone
SMILESCCCN1CCOC(c2ncc(C(C)=O)s2)C1
InChIInChI=1S/C12H18N2O2S/c1-3-4-14-5-6-16-10(8-14)12-13-7-11(17-12)9(2)15/h7,10H,3-6,8H2,1-2H3
InChIKeyDEJCFCPWDBCXTR-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.13
Rot. Bonds4

About 1-[2-(4-propylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone

1-[2-(4-propylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone (PubChem CID 79657795) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-[2-(4-propylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-propylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone
PubChem CID79657795
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-[2-(4-propylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone
SMILESCCCN1CCOC(c2ncc(C(C)=O)s2)C1
InChIInChI=1S/C12H18N2O2S/c1-3-4-14-5-6-16-10(8-14)12-13-7-11(17-12)9(2)15/h7,10H,3-6,8H2,1-2H3
InChIKeyDEJCFCPWDBCXTR-UHFFFAOYSA-N
XLogP2.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(Morpholin-4-yl)-1,3-thiazol-5-yl]ethan-1-one
CID 10846210
(2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 129367238
1-[2-[2-(2,2-Difluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 103150093
1-[2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 103150094
1-[2-(2,2,2-Trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 103476008
1-[2-(2,2,3,3-Tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 103476009
1-(2-Morpholin-2-yl-1,3-thiazol-5-yl)ethanone
CID 53847372
1-[2-(Methoxymethyl)-1,3-thiazol-5-yl]ethanone
CID 62653161
Ethyl 5-acetylthiazole-2-carboxylate
CID 126666435
1-[2-(Morpholin-4-ylmethyl)-1,3-thiazol-5-yl]ethanone
CID 130908847
2-(3-Morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 141096418
1-[2-[(2-Methylpropan-2-yl)oxymethyl]-1,3-thiazol-5-yl]ethanone
CID 164604562

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(4-propylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone (CID 79657795) is 1-[2-(4-propylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-propylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-propylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone is CCCN1CCOC(c2ncc(C(C)=O)s2)C1.
What is the InChIKey of 1-[2-(4-propylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is DEJCFCPWDBCXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-4-14-5-6-16-10(8-14)12-13-7-11(17-12)9(2)15/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 1-[2-(4-propylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone?
1-[2-(4-propylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 254.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propylmorpholin-2-yl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 79657795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).