5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C14H16N4O3S — CID 72912201

IUPAC5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCc1nc(C)c(CC(=O)N2Cc3[nH]cnc3CC2C(=O)O)s1
InChIInChI=1S/C14H16N4O3S/c1-7-12(22-8(2)17-7)4-13(19)18-5-10-9(15-6-16-10)3-11(18)14(20)21/h6,11H,3-5H2,1-2H3,(H,15,16)(H,20,21)
InChIKeySUXPUCPBLSEDJX-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.06
Rot. Bonds3

About 5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 72912201) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID72912201
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCc1nc(C)c(CC(=O)N2Cc3[nH]cnc3CC2C(=O)O)s1
InChIInChI=1S/C14H16N4O3S/c1-7-12(22-8(2)17-7)4-13(19)18-5-10-9(15-6-16-10)3-11(18)14(20)21/h6,11H,3-5H2,1-2H3,(H,15,16)(H,20,21)
InChIKeySUXPUCPBLSEDJX-UHFFFAOYSA-N
XLogP1.06
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-amino-4-methylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79342868
5-[2-(ethylamino)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344032
5-(2-ethoxyacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344619
5-but-3-enoyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344230
5-(3-methoxy-3-methylbutanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 103018952
5-(2-oxopropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 71162272
5-(3-propoxypropanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79343332
5-(3,4,4-trimethylpentanoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79343333
5-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 72837348
(6R)-5-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97433617
5-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 72890504
5-[2-(2-methoxyethylsulfanyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79344782

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 72912201) is 5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is Cc1nc(C)c(CC(=O)N2Cc3[nH]cnc3CC2C(=O)O)s1.
What is the InChIKey of 5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is SUXPUCPBLSEDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-7-12(22-8(2)17-7)4-13(19)18-5-10-9(15-6-16-10)3-11(18)14(20)21/h6,11H,3-5H2,1-2H3,(H,15,16)(H,20,21).
What are the key properties of 5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 320.37 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 72912201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).