[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone

C16H18N2O3S — CID 24712412

IUPAC[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(OCc2nc(C(=O)N3CCCC3)cs2)cc1
InChIInChI=1S/C16H18N2O3S/c1-20-12-4-6-13(7-5-12)21-10-15-17-14(11-22-15)16(19)18-8-2-3-9-18/h4-7,11H,2-3,8-10H2,1H3
InChIKeyPAVWBGSJJBXKAE-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.97
Rot. Bonds5

About [2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone

[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 24712412) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is [2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID24712412
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(OCc2nc(C(=O)N3CCCC3)cs2)cc1
InChIInChI=1S/C16H18N2O3S/c1-20-12-4-6-13(7-5-12)21-10-15-17-14(11-22-15)16(19)18-8-2-3-9-18/h4-7,11H,2-3,8-10H2,1H3
InChIKeyPAVWBGSJJBXKAE-UHFFFAOYSA-N
XLogP2.97
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-[(4-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxylate
CID 2744008
1-[2-(Phenoxymethyl)-4-thiazolyl]ethanone
CID 2744803
4-{[2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-4-yl]carbonyl}morpholine
CID 2821632
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 17441991
[2-(4-Methoxybenzyl)-1,3-thiazol-4-yl](morpholino)methanone
CID 1472612
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 2821634
N-[(3s)-1,1-Dioxidotetrahydrothiophen-3-Yl]-2-[(4-Methylphenoxy)methyl]-1,3-Thiazole-4-Carboxamide
CID 40803889
N-({2-[(4-Methylphenoxy)methyl]-1,3-thiazol-4-YL}methyl)-N-(2-methylpropyl)acetamide
CID 24714429
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 46009264
2-[[2-[(4-Fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
CID 56810267
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)butanamide
CID 168269504
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)hexanamide
CID 168289073

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone (CID 24712412) is [2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone is COc1ccc(OCc2nc(C(=O)N3CCCC3)cs2)cc1.
What is the InChIKey of [2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PAVWBGSJJBXKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-20-12-4-6-13(7-5-12)21-10-15-17-14(11-22-15)16(19)18-8-2-3-9-18/h4-7,11H,2-3,8-10H2,1H3.
What are the key properties of [2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 318.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24712412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).