2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone

C14H22N2O2S — CID 126783970

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCCC2C(C)(C)O)c(C)s1
InChIInChI=1S/C14H22N2O2S/c1-9-11(15-10(2)19-9)8-13(17)16-7-5-6-12(16)14(3,4)18/h12,18H,5-8H2,1-4H3
InChIKeyWRXHTUSXMFAXOG-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.06
Rot. Bonds3

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone

2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 126783970) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID126783970
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCCC2C(C)(C)O)c(C)s1
InChIInChI=1S/C14H22N2O2S/c1-9-11(15-10(2)19-9)8-13(17)16-7-5-6-12(16)14(3,4)18/h12,18H,5-8H2,1-4H3
InChIKeyWRXHTUSXMFAXOG-UHFFFAOYSA-N
XLogP2.06
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 91840506
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 91841533
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 91836326
1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(2-methylphenyl)sulfanylethanone
CID 75431165
2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
CID 71911930
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone
CID 91840363
N,N-diethyl-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 71910820
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 143940533
N-cyclohexyl-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 127775822
(2R)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 124845559
2-(2-hydroxypropan-2-yl)-N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrrolidine-1-carboxamide
CID 75520836
1-[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 136515469

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone (CID 126783970) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone is Cc1nc(CC(=O)N2CCCC2C(C)(C)O)c(C)s1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is WRXHTUSXMFAXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9-11(15-10(2)19-9)8-13(17)16-7-5-6-12(16)14(3,4)18/h12,18H,5-8H2,1-4H3.
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 282.41 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 126783970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).