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

C19H22N2O3S2 — CID 120674685

IUPAC4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(-c2cc3c(s2)CCN(C(=O)C2CCC(C(=O)O)CC2)C3)cs1
InChIInChI=1S/C19H22N2O3S2/c1-11-20-15(10-25-11)17-8-14-9-21(7-6-16(14)26-17)18(22)12-2-4-13(5-3-12)19(23)24/h8,10,12-13H,2-7,9H2,1H3,(H,23,24)
InChIKeyHZBCQRRGBVGIBG-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.96
Rot. Bonds3

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

4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]cyclohexane-1-carboxylic acid (PubChem CID 120674685) has the molecular formula C19H22N2O3S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]cyclohexane-1-carboxylic acid
PubChem CID120674685
Molecular FormulaC19H22N2O3S2
Molecular Weight390.53 g/mol
Exact Mass390.11
IUPAC Name4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(-c2cc3c(s2)CCN(C(=O)C2CCC(C(=O)O)CC2)C3)cs1
InChIInChI=1S/C19H22N2O3S2/c1-11-20-15(10-25-11)17-8-14-9-21(7-6-16(14)26-17)18(22)12-2-4-13(5-3-12)19(23)24/h8,10,12-13H,2-7,9H2,1H3,(H,23,24)
InChIKeyHZBCQRRGBVGIBG-UHFFFAOYSA-N
XLogP3.96
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one
CID 154741296
1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-2-one
CID 138998269
1-[3-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]piperidin-1-yl]butan-1-one
CID 138998272
(5-methyloxolan-2-yl)-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 75515309
5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-hydroxy-3-methylbenzaldehyde
CID 158534379
5-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 127736454
(2-methyl-1,3-thiazol-4-yl)-[2-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 131690678
3-[5-[5-(cyclopropanecarbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-2-hydroxy-3-methoxyphenyl]-1-phenylpropan-1-one
CID 167254512
4-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 120674494
4-(2-methyl-1,3-thiazol-4-yl)cyclohex-3-ene-1-carboxylic acid
CID 58465581
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 171993308
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone
CID 171993747

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]cyclohexane-1-carboxylic acid (CID 120674685) is 4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]cyclohexane-1-carboxylic acid is Cc1nc(-c2cc3c(s2)CCN(C(=O)C2CCC(C(=O)O)CC2)C3)cs1.
What is the InChIKey of 4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is HZBCQRRGBVGIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S2/c1-11-20-15(10-25-11)17-8-14-9-21(7-6-16(14)26-17)18(22)12-2-4-13(5-3-12)19(23)24/h8,10,12-13H,2-7,9H2,1H3,(H,23,24).
What are the key properties of 4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]cyclohexane-1-carboxylic acid?
4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 390.53 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).