2-[[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

C16H21N3OS2 — CID 165434930

IUPAC2-[[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESc1csc(OCC2CCCN(Cc3nc4c(s3)CCC4)C2)n1
InChIInChI=1S/C16H21N3OS2/c1-4-13-14(5-1)22-15(18-13)10-19-7-2-3-12(9-19)11-20-16-17-6-8-21-16/h6,8,12H,1-5,7,9-11H2
InChIKeyLODMCNDHTGXPDE-UHFFFAOYSA-N
MW335.50 g/mol
LogP3.38
Rot. Bonds5

About 2-[[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

2-[[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 165434930) has the molecular formula C16H21N3OS2 and a molecular weight of 335.50 g/mol. Its IUPAC name is 2-[[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-[[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID165434930
Molecular FormulaC16H21N3OS2
Molecular Weight335.50 g/mol
Exact Mass335.11
IUPAC Name2-[[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESc1csc(OCC2CCCN(Cc3nc4c(s3)CCC4)C2)n1
InChIInChI=1S/C16H21N3OS2/c1-4-13-14(5-1)22-15(18-13)10-19-7-2-3-12(9-19)11-20-16-17-6-8-21-16/h6,8,12H,1-5,7,9-11H2
InChIKeyLODMCNDHTGXPDE-UHFFFAOYSA-N
XLogP3.38
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]methoxy]-1,3-thiazole
CID 163357902
2-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]acetamide
CID 163357599
2-[(4-cyclopropylidenepiperidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 121184287
N-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 45199299
2-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-3-yl)methoxy]-1,3-thiazole
CID 163356995
1-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]triazole-4-carboxylic acid
CID 167843846
3-[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 165432822
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 154829094
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 75497436
2-(pyrrolidin-1-ylmethoxy)-1,3-thiazole
CID 139682098
methyl (3S)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylate
CID 115384916
1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one
CID 126899420

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2-[[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 165434930) is 2-[[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-[[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-[[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is c1csc(OCC2CCCN(Cc3nc4c(s3)CCC4)C2)n1.
What is the InChIKey of 2-[[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is LODMCNDHTGXPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS2/c1-4-13-14(5-1)22-15(18-13)10-19-7-2-3-12(9-19)11-20-16-17-6-8-21-16/h6,8,12H,1-5,7,9-11H2.
What are the key properties of 2-[[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
2-[[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 335.50 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1,3-thiazol-2-yloxymethyl)piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 165434930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).