2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid

C14H16N2O2S2 — CID 146134856

IUPAC2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid
SMILESCCC1c2ccsc2CCN1Cc1nc(C(=O)O)cs1
InChIInChI=1S/C14H16N2O2S2/c1-2-11-9-4-6-19-12(9)3-5-16(11)7-13-15-10(8-20-13)14(17)18/h4,6,8,11H,2-3,5,7H2,1H3,(H,17,18)
InChIKeyAIQDDIGYZKSZHD-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.41
Rot. Bonds4

About 2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid

2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 146134856) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID146134856
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid
SMILESCCC1c2ccsc2CCN1Cc1nc(C(=O)O)cs1
InChIInChI=1S/C14H16N2O2S2/c1-2-11-9-4-6-19-12(9)3-5-16(11)7-13-15-10(8-20-13)14(17)18/h4,6,8,11H,2-3,5,7H2,1H3,(H,17,18)
InChIKeyAIQDDIGYZKSZHD-UHFFFAOYSA-N
XLogP3.41
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]benzamide
CID 31315480
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropan-2-ol
CID 110932538
2-[(3-ethylazetidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 79688727
2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-propan-2-ylacetamide
CID 27120884
7-[[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 94182681
2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-prop-2-ynylacetamide
CID 51227314
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 41405202
3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-piperazin-1-ylpropan-1-one
CID 120981019
2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294015
(2S)-2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 61146658
2-benzyl-6-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridazin-3-one
CID 51925321
(6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 103187222

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid (CID 146134856) is 2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid is CCC1c2ccsc2CCN1Cc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is AIQDDIGYZKSZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-2-11-9-4-6-19-12(9)3-5-16(11)7-13-15-10(8-20-13)14(17)18/h4,6,8,11H,2-3,5,7H2,1H3,(H,17,18).
What are the key properties of 2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid?
2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 308.43 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 146134856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).