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

C17H20N2O2S2 — CID 138021361

IUPAC5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(CN2CCC(c3nc4c(s3)CCC4)CC2)c1
InChIInChI=1S/C17H20N2O2S2/c20-17(21)12-8-13(22-10-12)9-19-6-4-11(5-7-19)16-18-14-2-1-3-15(14)23-16/h8,10-11H,1-7,9H2,(H,20,21)
InChIKeyZCCMJKMULNCOKX-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.77
Rot. Bonds4

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

5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-3-carboxylic acid (PubChem CID 138021361) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-3-carboxylic acid
PubChem CID138021361
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC Name5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(CN2CCC(c3nc4c(s3)CCC4)CC2)c1
InChIInChI=1S/C17H20N2O2S2/c20-17(21)12-8-13(22-10-12)9-19-6-4-11(5-7-19)16-18-14-2-1-3-15(14)23-16/h8,10-11H,1-7,9H2,(H,20,21)
InChIKeyZCCMJKMULNCOKX-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 5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-3-carboxylic acid with MolForge

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Related Compounds

4-[[(2-Ethyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carboxylic acid
CID 137972327
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
4-[[3-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 146135023
5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]-2-fluorobenzoic acid
CID 166267714
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
5-Methyl-4-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 167842789
Methyl 4-{[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl](methyl)amino]methyl}-2-thiophenecarboxylate
CID 56897759
5-[[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]thiophene-3-carboxylic acid
CID 80330760
5-[[(4-Methyl-1,3-thiazol-5-yl)methylamino]methyl]thiophene-3-carboxylic acid
CID 80330770
5-Methyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiophene-2-carboxylic acid
CID 80727170

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-3-carboxylic acid (CID 138021361) is 5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-3-carboxylic acid is O=C(O)c1csc(CN2CCC(c3nc4c(s3)CCC4)CC2)c1.
What is the InChIKey of 5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-3-carboxylic acid?
The InChIKey is ZCCMJKMULNCOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c20-17(21)12-8-13(22-10-12)9-19-6-4-11(5-7-19)16-18-14-2-1-3-15(14)23-16/h8,10-11H,1-7,9H2,(H,20,21).
What are the key properties of 5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-3-carboxylic acid?
5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-3-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 5-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 138021361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).