3-(cyclopentylideneamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1,3-thiazol-2-imine

C17H19N3O2S — CID 7975270

IUPAC3-(cyclopentylideneamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc3c(c2)OCCO3)n1N=C1CCCC1
InChIInChI=1S/C17H19N3O2S/c1-18-17-20(19-13-4-2-3-5-13)14(11-23-17)12-6-7-15-16(10-12)22-9-8-21-15/h6-7,10-11H,2-5,8-9H2,1H3/b18-17-
InChIKeyUKADWPCBRNEKFZ-ZCXUNETKSA-N
MW329.43 g/mol
LogP3.30
Rot. Bonds2

About 3-(cyclopentylideneamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1,3-thiazol-2-imine

3-(cyclopentylideneamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1,3-thiazol-2-imine (PubChem CID 7975270) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 3-(cyclopentylideneamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(cyclopentylideneamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1,3-thiazol-2-imine
PubChem CID7975270
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name3-(cyclopentylideneamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc3c(c2)OCCO3)n1N=C1CCCC1
InChIInChI=1S/C17H19N3O2S/c1-18-17-20(19-13-4-2-3-5-13)14(11-23-17)12-6-7-15-16(10-12)22-9-8-21-15/h6-7,10-11H,2-5,8-9H2,1H3/b18-17-
InChIKeyUKADWPCBRNEKFZ-ZCXUNETKSA-N
XLogP3.30
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 3-(cyclopentylideneamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1,3-thiazol-2-imine?
The IUPAC name of 3-(cyclopentylideneamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1,3-thiazol-2-imine (CID 7975270) is 3-(cyclopentylideneamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(cyclopentylideneamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(cyclopentylideneamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc3c(c2)OCCO3)n1N=C1CCCC1.
What is the InChIKey of 3-(cyclopentylideneamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1,3-thiazol-2-imine?
The InChIKey is UKADWPCBRNEKFZ-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-18-17-20(19-13-4-2-3-5-13)14(11-23-17)12-6-7-15-16(10-12)22-9-8-21-15/h6-7,10-11H,2-5,8-9H2,1H3/b18-17-.
What are the key properties of 3-(cyclopentylideneamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1,3-thiazol-2-imine?
3-(cyclopentylideneamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1,3-thiazol-2-imine has a molecular weight of 329.43 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylideneamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 7975270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).