1-[3-[[6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone

C15H18N4OS — CID 110100464

IUPAC1-[3-[[6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cc(-c3nc(C)cs3)ncn2)C1
InChIInChI=1S/C15H18N4OS/c1-10-8-21-15(18-10)14-6-13(16-9-17-14)5-12-3-4-19(7-12)11(2)20/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyHMPXSBTWZQWQBM-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.32
Rot. Bonds3

About 1-[3-[[6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone

1-[3-[[6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 110100464) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[3-[[6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID110100464
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1-[3-[[6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cc(-c3nc(C)cs3)ncn2)C1
InChIInChI=1S/C15H18N4OS/c1-10-8-21-15(18-10)14-6-13(16-9-17-14)5-12-3-4-19(7-12)11(2)20/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyHMPXSBTWZQWQBM-UHFFFAOYSA-N
XLogP2.32
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[[6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(3S)-3-[[6-(1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 125009942
4-methyl-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-yl]-1,3-thiazole
CID 110100455
1-[3-[[2-(4-methyl-1,3-thiazol-2-yl)-4-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 110100353
1-[3-[(6-chloropyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone
CID 167995722
2-[6-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]pyrimidin-4-yl]benzoic acid
CID 125014558
1-[(3S)-3-[[6-(methylamino)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 95841407
1-[(3S)-3-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 125014137
1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 95821893
1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 95830306
1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]ethanone
CID 118546878
[3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 110129263
[(3S)-3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 124941515

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone (CID 110100464) is 1-[3-[[6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(Cc2cc(-c3nc(C)cs3)ncn2)C1.
What is the InChIKey of 1-[3-[[6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is HMPXSBTWZQWQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10-8-21-15(18-10)14-6-13(16-9-17-14)5-12-3-4-19(7-12)11(2)20/h6,8-9,12H,3-5,7H2,1-2H3.
What are the key properties of 1-[3-[[6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone?
1-[3-[[6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 302.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110100464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).