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

C17H20N2O2S2 — CID 138021360

IUPAC3-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1CN1CCC(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C17H20N2O2S2/c20-17(21)15-12(6-9-22-15)10-19-7-4-11(5-8-19)16-18-13-2-1-3-14(13)23-16/h6,9,11H,1-5,7-8,10H2,(H,20,21)
InChIKeyGBGOJJGTXBNOSD-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.77
Rot. Bonds4

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

3-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid (PubChem CID 138021360) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
PubChem CID138021360
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC Name3-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1CN1CCC(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C17H20N2O2S2/c20-17(21)15-12(6-9-22-15)10-19-7-4-11(5-8-19)16-18-13-2-1-3-14(13)23-16/h6,9,11H,1-5,7-8,10H2,(H,20,21)
InChIKeyGBGOJJGTXBNOSD-UHFFFAOYSA-N
XLogP3.77
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-3-carboxylic acid
CID 138021361
5-methyl-4-[[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 164634219
5-[[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 164639446
3-[[methyl-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]thiophene-2-carboxylic acid
CID 164640429
3-[[3-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 146135024
6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 166267826
3-[[Methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]thiophene-2-carboxylic acid
CID 55246668
3-[[Methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiophene-2-carboxylic acid
CID 63837297
3-[[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]thiophene-2-carboxylic acid
CID 103242804
5-[3-(4,5-Dimethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183746
3-[[(2-Ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
CID 136550331
5-[[3-(4,5-Dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 136550372

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid (CID 138021360) is 3-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1CN1CCC(c2nc3c(s2)CCC3)CC1.
What is the InChIKey of 3-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid?
The InChIKey is GBGOJJGTXBNOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c20-17(21)15-12(6-9-22-15)10-19-7-4-11(5-8-19)16-18-13-2-1-3-14(13)23-16/h6,9,11H,1-5,7-8,10H2,(H,20,21).
What are the key properties of 3-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid?
3-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid has a molecular weight of 348.49 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 138021360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).