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[1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone

C16H22N4O2S — CID 118744543

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
SMILESCC(C)COCC1CN(C(=O)c2cscn2)Cc2ncn(C)c21
InChIInChI=1S/C16H22N4O2S/c1-11(2)6-22-7-12-4-20(16(21)14-8-23-10-18-14)5-13-15(12)19(3)9-17-13/h8-12H,4-7H2,1-3H3
InChIKeyZZKCOROIXNUWSV-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.29
Rot. Bonds5

About [1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone

[1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 118744543) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is [1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID118744543
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name[1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone
SMILESCC(C)COCC1CN(C(=O)c2cscn2)Cc2ncn(C)c21
InChIInChI=1S/C16H22N4O2S/c1-11(2)6-22-7-12-4-20(16(21)14-8-23-10-18-14)5-13-15(12)19(3)9-17-13/h8-12H,4-7H2,1-3H3
InChIKeyZZKCOROIXNUWSV-UHFFFAOYSA-N
XLogP2.29
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone (CID 118744543) is [1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone is CC(C)COCC1CN(C(=O)c2cscn2)Cc2ncn(C)c21.
What is the InChIKey of [1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is ZZKCOROIXNUWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-11(2)6-22-7-12-4-20(16(21)14-8-23-10-18-14)5-13-15(12)19(3)9-17-13/h8-12H,4-7H2,1-3H3.
What are the key properties of [1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone?
[1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 334.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-7-(2-methylpropoxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 118744543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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