6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid

C15H16N2O2S2 — CID 166267827

IUPAC6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)CN(Cc1nc3c(s1)CCC3)CC2
InChIInChI=1S/C15H16N2O2S2/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/h6H,1-5,7-8H2,(H,18,19)
InChIKeyCQQMLJRTMWVFON-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.95
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

6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 166267827) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 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.

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
PubChem CID166267827
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
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
SMILESO=C(O)c1cc2c(s1)CN(Cc1nc3c(s1)CCC3)CC2
InChIInChI=1S/C15H16N2O2S2/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/h6H,1-5,7-8H2,(H,18,19)
InChIKeyCQQMLJRTMWVFON-UHFFFAOYSA-N
XLogP2.95
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 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-[[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
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-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65071913
5-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 80315222
5-Methyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiophene-2-carboxylic acid
CID 80727170
5-Methyl-4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]thiophene-2-carboxylic acid
CID 80727979
4-[[1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid
CID 103242817
5-[3-(4,5-Dimethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183746
5-[[3-(4,5-Dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 136550372
3-[[3-(4,5-Dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 136550373

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?
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 (CID 166267827) 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.
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?
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 is 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?
The InChIKey is CQQMLJRTMWVFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/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/h6H,1-5,7-8H2,(H,18,19).
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?
6-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 320.44 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 166267827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).