5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

C15H18N2O2S2 — CID 65071913

IUPAC5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCc1nc(C(C)N2CCc3sccc3C2C(=O)O)c(C)s1
InChIInChI=1S/C15H18N2O2S2/c1-8(13-9(2)21-10(3)16-13)17-6-4-12-11(5-7-20-12)14(17)15(18)19/h5,7-8,14H,4,6H2,1-3H3,(H,18,19)
InChIKeyJDCIQEWWXTZYKG-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.57
Rot. Bonds3

About 5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (PubChem CID 65071913) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
PubChem CID65071913
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCc1nc(C(C)N2CCc3sccc3C2C(=O)O)c(C)s1
InChIInChI=1S/C15H18N2O2S2/c1-8(13-9(2)21-10(3)16-13)17-6-4-12-11(5-7-20-12)14(17)15(18)19/h5,7-8,14H,4,6H2,1-3H3,(H,18,19)
InChIKeyJDCIQEWWXTZYKG-UHFFFAOYSA-N
XLogP3.57
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid with MolForge

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Related Compounds

{4-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl}[4-(methylthio)phenyl]acetic acid
CID 72931720
(2R)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-2-thiophen-3-ylacetic acid
CID 164636564
(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid
CID 164639153
1-[1,3-Benzothiazol-2-yl-(3-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
CID 3872405
1-[1,3-Benzothiazol-2-yl(thiophen-3-yl)methyl]piperidine-2-carboxylic acid
CID 4541545
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazole-2-carboxylic acid
CID 43664585
4-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 55010386
5-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 55144833
5-(4-ethyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 55152926
5-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 61801160
5-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 61801734
5-(4-methyl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 61802698

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The IUPAC name of 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) is 5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is Cc1nc(C(C)N2CCc3sccc3C2C(=O)O)c(C)s1.
What is the InChIKey of 5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The InChIKey is JDCIQEWWXTZYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-8(13-9(2)21-10(3)16-13)17-6-4-12-11(5-7-20-12)14(17)15(18)19/h5,7-8,14H,4,6H2,1-3H3,(H,18,19).
What are the key properties of 5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid has a molecular weight of 322.46 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 65071913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).