ethyl 1-ethyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate

C15H20N4O2S — CID 133136805

IUPACethyl 1-ethyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
SMILESCCOC(=O)C1CN(Cc2nccs2)Cc2ncn(CC)c21
InChIInChI=1S/C15H20N4O2S/c1-3-19-10-17-12-8-18(9-13-16-5-6-22-13)7-11(14(12)19)15(20)21-4-2/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyAMVZGZSBVBOIBU-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.02
Rot. Bonds5

About ethyl 1-ethyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate

ethyl 1-ethyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate (PubChem CID 133136805) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is ethyl 1-ethyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
PubChem CID133136805
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Nameethyl 1-ethyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
SMILESCCOC(=O)C1CN(Cc2nccs2)Cc2ncn(CC)c21
InChIInChI=1S/C15H20N4O2S/c1-3-19-10-17-12-8-18(9-13-16-5-6-22-13)7-11(14(12)19)15(20)21-4-2/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyAMVZGZSBVBOIBU-UHFFFAOYSA-N
XLogP2.02
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-ethyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate with MolForge

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Related Compounds

ethyl 5-(cyclopropylmethyl)-1-ethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate
CID 118742998
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
2-[[1-ethyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155838206
2-[[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155828623
methyl (3S)-1-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxylate
CID 115384916
2-[[(4S)-4-(cyclopropylmethoxymethyl)-2-ethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole
CID 97383065
2-[[1-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 118739275
[(7R)-1-methyl-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]-piperidin-1-ylmethanone
CID 124807668
ethyl 1-[(4-methylphenyl)methyl]-4-oxopyrrolidine-3-carboxylate
CID 23052699
2-[[2-(cyclopropylmethyl)-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methyl]-1,3-thiazole
CID 131653814
2-[[(2S,6S)-2,6-dimethyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 99832802
2-[[2-(cyclopentylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 171685871

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate?
The IUPAC name of ethyl 1-ethyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate (CID 133136805) is ethyl 1-ethyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate?
The canonical SMILES for ethyl 1-ethyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate is CCOC(=O)C1CN(Cc2nccs2)Cc2ncn(CC)c21.
What is the InChIKey of ethyl 1-ethyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate?
The InChIKey is AMVZGZSBVBOIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-3-19-10-17-12-8-18(9-13-16-5-6-22-13)7-11(14(12)19)15(20)21-4-2/h5-6,10-11H,3-4,7-9H2,1-2H3.
What are the key properties of ethyl 1-ethyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate?
ethyl 1-ethyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate has a molecular weight of 320.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-5-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylate is sourced from PubChem (CID 133136805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).