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

C14H18N4O2S — CID 134076240

IUPAC1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
SMILESCCn1cnc2c1C(C(=O)O)CN(Cc1csc(C)n1)C2
InChIInChI=1S/C14H18N4O2S/c1-3-18-8-15-12-6-17(4-10-7-21-9(2)16-10)5-11(13(12)18)14(19)20/h7-8,11H,3-6H2,1-2H3,(H,19,20)
InChIKeyAJLXTYPVAADPJP-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.85
Rot. Bonds4

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

1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid (PubChem CID 134076240) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
PubChem CID134076240
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
SMILESCCn1cnc2c1C(C(=O)O)CN(Cc1csc(C)n1)C2
InChIInChI=1S/C14H18N4O2S/c1-3-18-8-15-12-6-17(4-10-7-21-9(2)16-10)5-11(13(12)18)14(19)20/h7-8,11H,3-6H2,1-2H3,(H,19,20)
InChIKeyAJLXTYPVAADPJP-UHFFFAOYSA-N
XLogP1.85
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-ethyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 133136805
9-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepine-7-carboxylic acid
CID 134073652
4-[[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 171695067
1-ethyl-5-(oxolane-3-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
CID 134078751
2-methyl-4-[[2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155845880
(7S)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 124805081
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 55119291
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
1-[(3aR,8aS)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-2-yl]-2-methylprop-2-en-1-one
CID 155877266
3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114511212
1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441678

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The IUPAC name of 1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid (CID 134076240) is 1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The canonical SMILES for 1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid is CCn1cnc2c1C(C(=O)O)CN(Cc1csc(C)n1)C2.
What is the InChIKey of 1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The InChIKey is AJLXTYPVAADPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-18-8-15-12-6-17(4-10-7-21-9(2)16-10)5-11(13(12)18)14(19)20/h7-8,11H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid has a molecular weight of 306.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 134076240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).