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

C17H17N5OS — CID 84594145

IUPAC[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCc2c(ncn2CCc2ccccc2)C1
InChIInChI=1S/C17H17N5OS/c23-17(14-10-19-24-20-14)21-9-7-16-15(11-21)18-12-22(16)8-6-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2
InChIKeyDNLZQQSTGHPVLS-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.18
Rot. Bonds4

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

[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 84594145) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is [1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID84594145
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,2,5-thiadiazol-3-yl)methanone
SMILESO=C(c1cnsn1)N1CCc2c(ncn2CCc2ccccc2)C1
InChIInChI=1S/C17H17N5OS/c23-17(14-10-19-24-20-14)21-9-7-16-15(11-21)18-12-22(16)8-6-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2
InChIKeyDNLZQQSTGHPVLS-UHFFFAOYSA-N
XLogP2.18
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 11209919
CID 11209919
CID 3069971
CID 3069971
CID 95028
CID 95028
CID 663312
CID 663312
CID 10359522
CID 10359522
CID 74983356
CID 74983356
CID 155669602
CID 155669602
CID 71646
CID 71646
CID 663582
CID 663582
CID 663244
CID 663244
CID 645860
CID 645860
CID 71546969
CID 71546969

Frequently Asked Questions

What is the IUPAC name of [1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of [1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,2,5-thiadiazol-3-yl)methanone (CID 84594145) is [1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for [1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for [1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,2,5-thiadiazol-3-yl)methanone is O=C(c1cnsn1)N1CCc2c(ncn2CCc2ccccc2)C1.
What is the InChIKey of [1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is DNLZQQSTGHPVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c23-17(14-10-19-24-20-14)21-9-7-16-15(11-21)18-12-22(16)8-6-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2.
What are the key properties of [1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,2,5-thiadiazol-3-yl)methanone?
[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 339.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 84594145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).