2-(2-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid

C12H18N2O2S — CID 82098360

IUPAC2-(2-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid
SMILESCCc1nc2c(s1)CN(C(CC)C(=O)O)CC2
InChIInChI=1S/C12H18N2O2S/c1-3-9(12(15)16)14-6-5-8-10(7-14)17-11(4-2)13-8/h9H,3-7H2,1-2H3,(H,15,16)
InChIKeyJPVDNMBLISYAEM-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.93
Rot. Bonds4

About 2-(2-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid

2-(2-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid (PubChem CID 82098360) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(2-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid.

Molecular Properties

Compound Name2-(2-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid
PubChem CID82098360
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(2-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid
SMILESCCc1nc2c(s1)CN(C(CC)C(=O)O)CC2
InChIInChI=1S/C12H18N2O2S/c1-3-9(12(15)16)14-6-5-8-10(7-14)17-11(4-2)13-8/h9H,3-7H2,1-2H3,(H,15,16)
InChIKeyJPVDNMBLISYAEM-UHFFFAOYSA-N
XLogP1.93
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid
CID 82098363
2-(2-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
CID 82098355
N-methyl-1-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanamine
CID 62545145
2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid
CID 68643969
(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanol
CID 62921639
N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine
CID 62543027
ethyl 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
CID 61385458
2-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propanoic acid
CID 82098344
2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine
CID 55156826
2-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetic acid
CID 82155255
2-ethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58541380
2-[2-(2,6-difluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propanoic acid
CID 82098354

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid?
The IUPAC name of 2-(2-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid (CID 82098360) is 2-(2-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid.
What is the SMILES notation for 2-(2-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid?
The canonical SMILES for 2-(2-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid is CCc1nc2c(s1)CN(C(CC)C(=O)O)CC2.
What is the InChIKey of 2-(2-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid?
The InChIKey is JPVDNMBLISYAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-9(12(15)16)14-6-5-8-10(7-14)17-11(4-2)13-8/h9H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid?
2-(2-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid has a molecular weight of 254.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid is sourced from PubChem (CID 82098360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).