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

C15H16N2O2S2 — CID 166267825

IUPAC6-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)CN(Cc1scnc1C1CC1)CC2
InChIInChI=1S/C15H16N2O2S2/c18-15(19)11-5-10-3-4-17(6-12(10)21-11)7-13-14(9-1-2-9)16-8-20-13/h5,8-9H,1-4,6-7H2,(H,18,19)
InChIKeyPUDDOFIHVCLZQR-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.34
Rot. Bonds4

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

6-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 166267825) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 6-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID166267825
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC Name6-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)CN(Cc1scnc1C1CC1)CC2
InChIInChI=1S/C15H16N2O2S2/c18-15(19)11-5-10-3-4-17(6-12(10)21-11)7-13-14(9-1-2-9)16-8-20-13/h5,8-9H,1-4,6-7H2,(H,18,19)
InChIKeyPUDDOFIHVCLZQR-UHFFFAOYSA-N
XLogP3.34
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic 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-methyl-4-[[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 164634219
5-[[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 164639446
3-[[methyl-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]amino]methyl]thiophene-2-carboxylic acid
CID 164640429
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-Methyl-4-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 167842789
5-Ethyl-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
CID 55248375
5-(4-methyl-1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 61802698
5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 62071519
4-[[Methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]benzoic acid
CID 63836593
5-[Methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]thiophene-2-carboxylic acid
CID 63836819
3-[[Methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiophene-2-carboxylic acid
CID 63837297

Frequently Asked Questions

What is the IUPAC name of 6-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid (CID 166267825) is 6-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid is O=C(O)c1cc2c(s1)CN(Cc1scnc1C1CC1)CC2.
What is the InChIKey of 6-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is PUDDOFIHVCLZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c18-15(19)11-5-10-3-4-17(6-12(10)21-11)7-13-14(9-1-2-9)16-8-20-13/h5,8-9H,1-4,6-7H2,(H,18,19).
What are the key properties of 6-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid?
6-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 320.44 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 166267825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).