1-[4-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]ethanone

C13H18N4O2S — CID 167951709

IUPAC1-[4-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CSCC1C(=O)N1CCc2c(ncn2C)C1
InChIInChI=1S/C13H18N4O2S/c1-9(18)17-8-20-6-12(17)13(19)16-4-3-11-10(5-16)14-7-15(11)2/h7,12H,3-6,8H2,1-2H3
InChIKeyMFACRXHCNDETGP-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.23
Rot. Bonds1

About 1-[4-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]ethanone

1-[4-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 167951709) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[4-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID167951709
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-[4-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]ethanone
SMILESCC(=O)N1CSCC1C(=O)N1CCc2c(ncn2C)C1
InChIInChI=1S/C13H18N4O2S/c1-9(18)17-8-20-6-12(17)13(19)16-4-3-11-10(5-16)14-7-15(11)2/h7,12H,3-6,8H2,1-2H3
InChIKeyMFACRXHCNDETGP-UHFFFAOYSA-N
XLogP0.23
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 1-[4-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]ethanone (CID 167951709) is 1-[4-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 1-[4-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 1-[4-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]ethanone is CC(=O)N1CSCC1C(=O)N1CCc2c(ncn2C)C1.
What is the InChIKey of 1-[4-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is MFACRXHCNDETGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-9(18)17-8-20-6-12(17)13(19)16-4-3-11-10(5-16)14-7-15(11)2/h7,12H,3-6,8H2,1-2H3.
What are the key properties of 1-[4-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
1-[4-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 294.38 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carbonyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 167951709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).