2-[5-(2-phenyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]acetic acid

C18H16N4O3S — CID 70689956

IUPAC2-[5-(2-phenyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]acetic acid
SMILESO=C(O)Cn1cnc2c1CCN(C(=O)c1csc(-c3ccccc3)n1)C2
InChIInChI=1S/C18H16N4O3S/c23-16(24)9-22-11-19-13-8-21(7-6-15(13)22)18(25)14-10-26-17(20-14)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,23,24)
InChIKeyHMROYIXNBLNKII-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.29
Rot. Bonds4

About 2-[5-(2-phenyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]acetic acid

2-[5-(2-phenyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]acetic acid (PubChem CID 70689956) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-[5-(2-phenyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-phenyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]acetic acid
PubChem CID70689956
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name2-[5-(2-phenyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]acetic acid
SMILESO=C(O)Cn1cnc2c1CCN(C(=O)c1csc(-c3ccccc3)n1)C2
InChIInChI=1S/C18H16N4O3S/c23-16(24)9-22-11-19-13-8-21(7-6-15(13)22)18(25)14-10-26-17(20-14)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,23,24)
InChIKeyHMROYIXNBLNKII-UHFFFAOYSA-N
XLogP2.29
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-phenyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]acetic acid?
The IUPAC name of 2-[5-(2-phenyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]acetic acid (CID 70689956) is 2-[5-(2-phenyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-phenyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]acetic acid?
The canonical SMILES for 2-[5-(2-phenyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]acetic acid is O=C(O)Cn1cnc2c1CCN(C(=O)c1csc(-c3ccccc3)n1)C2.
What is the InChIKey of 2-[5-(2-phenyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]acetic acid?
The InChIKey is HMROYIXNBLNKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c23-16(24)9-22-11-19-13-8-21(7-6-15(13)22)18(25)14-10-26-17(20-14)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,23,24).
What are the key properties of 2-[5-(2-phenyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]acetic acid?
2-[5-(2-phenyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]acetic acid has a molecular weight of 368.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-phenyl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]acetic acid is sourced from PubChem (CID 70689956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).