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

C17H17F3N2O4S2 — CID 166267826

IUPAC6-(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
SMILESO=C(O)C(F)(F)F.O=C(O)c1cc2c(s1)CN(Cc1nc3c(s1)CCC3)CC2
InChIInChI=1S/C15H16N2O2S2.C2HF3O2/c18-15(19)12-6-9-4-5-17(7-13(9)20-12)8-14-16-10-2-1-3-11(10)21-14;3-2(4,5)1(6)7/h6H,1-5,7-8H2,(H,18,19);(H,6,7)
InChIKeyDWXTWIRYLUGJKI-UHFFFAOYSA-N
MW434.46 g/mol
LogP3.58
Rot. Bonds3

About 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

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 (PubChem CID 166267826) has the molecular formula C17H17F3N2O4S2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID166267826
Molecular FormulaC17H17F3N2O4S2
Molecular Weight434.46 g/mol
Exact Mass434.06
IUPAC Name6-(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
SMILESO=C(O)C(F)(F)F.O=C(O)c1cc2c(s1)CN(Cc1nc3c(s1)CCC3)CC2
InChIInChI=1S/C15H16N2O2S2.C2HF3O2/c18-15(19)12-6-9-4-5-17(7-13(9)20-12)8-14-16-10-2-1-3-11(10)21-14;3-2(4,5)1(6)7/h6H,1-5,7-8H2,(H,18,19);(H,6,7)
InChIKeyDWXTWIRYLUGJKI-UHFFFAOYSA-N
XLogP3.58
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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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-[[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 164639446
5-Methyl-4-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 167842789
5-[[3-(4,5-Dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 136550372
4-[[3-(4,5-Dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]-5-methylthiophene-2-carboxylic acid
CID 136550378
3-[[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 138021360
5-Methyl-4-[[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 146135053
6-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
CID 166267825
6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
CID 166267827
6-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
CID 167837775

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(O)C(F)(F)F.O=C(O)c1cc2c(s1)CN(Cc1nc3c(s1)CCC3)CC2.
What is the InChIKey of 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?
The InChIKey is DWXTWIRYLUGJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2.C2HF3O2/c18-15(19)12-6-9-4-5-17(7-13(9)20-12)8-14-16-10-2-1-3-11(10)21-14;3-2(4,5)1(6)7/h6H,1-5,7-8H2,(H,18,19);(H,6,7).
What are the key properties of 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?
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 has a molecular weight of 434.46 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166267826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).