5-cyclopentyl-N-methyl-3-thiophen-2-yl-1,3-dihydropyrido[2,3-e][1,4]diazepin-2-imine

C18H20N4S — CID 135508250

IUPAC5-cyclopentyl-N-methyl-3-thiophen-2-yl-1,3-dihydropyrido[2,3-e][1,4]diazepin-2-imine
SMILESC/N=C1\Nc2ncccc2C(C2CCCC2)=NC1c1cccs1
InChIInChI=1S/C18H20N4S/c1-19-18-16(14-9-5-11-23-14)21-15(12-6-2-3-7-12)13-8-4-10-20-17(13)22-18/h4-5,8-12,16H,2-3,6-7H2,1H3,(H,19,20,22)
InChIKeyQUTZZTQEHSJLRN-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.32
Rot. Bonds2

About 5-cyclopentyl-N-methyl-3-thiophen-2-yl-1,3-dihydropyrido[2,3-e][1,4]diazepin-2-imine

5-cyclopentyl-N-methyl-3-thiophen-2-yl-1,3-dihydropyrido[2,3-e][1,4]diazepin-2-imine (PubChem CID 135508250) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 5-cyclopentyl-N-methyl-3-thiophen-2-yl-1,3-dihydropyrido[2,3-e][1,4]diazepin-2-imine.

Molecular Properties

Compound Name5-cyclopentyl-N-methyl-3-thiophen-2-yl-1,3-dihydropyrido[2,3-e][1,4]diazepin-2-imine
PubChem CID135508250
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name5-cyclopentyl-N-methyl-3-thiophen-2-yl-1,3-dihydropyrido[2,3-e][1,4]diazepin-2-imine
SMILESC/N=C1\Nc2ncccc2C(C2CCCC2)=NC1c1cccs1
InChIInChI=1S/C18H20N4S/c1-19-18-16(14-9-5-11-23-14)21-15(12-6-2-3-7-12)13-8-4-10-20-17(13)22-18/h4-5,8-12,16H,2-3,6-7H2,1H3,(H,19,20,22)
InChIKeyQUTZZTQEHSJLRN-UHFFFAOYSA-N
XLogP4.32
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-methyl-3-thiophen-2-yl-1,3-dihydropyrido[2,3-e][1,4]diazepin-2-imine?
The IUPAC name of 5-cyclopentyl-N-methyl-3-thiophen-2-yl-1,3-dihydropyrido[2,3-e][1,4]diazepin-2-imine (CID 135508250) is 5-cyclopentyl-N-methyl-3-thiophen-2-yl-1,3-dihydropyrido[2,3-e][1,4]diazepin-2-imine.
What is the SMILES notation for 5-cyclopentyl-N-methyl-3-thiophen-2-yl-1,3-dihydropyrido[2,3-e][1,4]diazepin-2-imine?
The canonical SMILES for 5-cyclopentyl-N-methyl-3-thiophen-2-yl-1,3-dihydropyrido[2,3-e][1,4]diazepin-2-imine is C/N=C1\Nc2ncccc2C(C2CCCC2)=NC1c1cccs1.
What is the InChIKey of 5-cyclopentyl-N-methyl-3-thiophen-2-yl-1,3-dihydropyrido[2,3-e][1,4]diazepin-2-imine?
The InChIKey is QUTZZTQEHSJLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-19-18-16(14-9-5-11-23-14)21-15(12-6-2-3-7-12)13-8-4-10-20-17(13)22-18/h4-5,8-12,16H,2-3,6-7H2,1H3,(H,19,20,22).
What are the key properties of 5-cyclopentyl-N-methyl-3-thiophen-2-yl-1,3-dihydropyrido[2,3-e][1,4]diazepin-2-imine?
5-cyclopentyl-N-methyl-3-thiophen-2-yl-1,3-dihydropyrido[2,3-e][1,4]diazepin-2-imine has a molecular weight of 324.45 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-methyl-3-thiophen-2-yl-1,3-dihydropyrido[2,3-e][1,4]diazepin-2-imine is sourced from PubChem (CID 135508250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).