(Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine

C18H16N4O2S — CID 8716118

IUPAC(Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc3c(c2)OCCO3)n1/N=C\c1cccnc1
InChIInChI=1S/C18H16N4O2S/c1-19-18-22(21-11-13-3-2-6-20-10-13)15(12-25-18)14-4-5-16-17(9-14)24-8-7-23-16/h2-6,9-12H,7-8H2,1H3/b19-18-,21-11-
InChIKeyWKLLHJRPRUBLQU-NNQKLZAZSA-N
MW352.42 g/mol
LogP2.80
Rot. Bonds3

About (Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine

(Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine (PubChem CID 8716118) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is (Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine
PubChem CID8716118
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name(Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccc3c(c2)OCCO3)n1/N=C\c1cccnc1
InChIInChI=1S/C18H16N4O2S/c1-19-18-22(21-11-13-3-2-6-20-10-13)15(12-25-18)14-4-5-16-17(9-14)24-8-7-23-16/h2-6,9-12H,7-8H2,1H3/b19-18-,21-11-
InChIKeyWKLLHJRPRUBLQU-NNQKLZAZSA-N
XLogP2.80
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dichlorophenyl)-N-ethyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2448029
3-(cyclopentylideneamino)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1,3-thiazol-2-imine
CID 7975270
6-[2-cyclohexylimino-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23735324
3-[(4-tert-butylphenyl)methylideneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-yl-1,3-thiazol-2-imine
CID 4848245
(Z)-4-(3-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 8825792
4-[(E)-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethylimino-1,3-thiazol-3-yl]iminomethyl]-2-methoxyphenol
CID 135849485
3-(benzylideneamino)-4-(4-bromophenyl)-N-methyl-1,3-thiazol-2-imine
CID 2383546
6-[3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-3-ylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 135551410
4-(4-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-N-(2-methoxyethyl)-1,3-thiazol-2-imine
CID 2364898
4-(3,4-dichlorophenyl)-N-methyl-3-(thiophen-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23934529
3-(1,3-benzodioxol-5-ylmethylideneamino)-4-(3,4-dichlorophenyl)-N-ethyl-1,3-thiazol-2-imine
CID 3927891
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4-(2-fluorophenyl)-N-(4-methylphenyl)-1,3-thiazol-2-imine
CID 2416976

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine (CID 8716118) is (Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccc3c(c2)OCCO3)n1/N=C\c1cccnc1.
What is the InChIKey of (Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is WKLLHJRPRUBLQU-NNQKLZAZSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-19-18-22(21-11-13-3-2-6-20-10-13)15(12-25-18)14-4-5-16-17(9-14)24-8-7-23-16/h2-6,9-12H,7-8H2,1H3/b19-18-,21-11-.
What are the key properties of (Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine?
(Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 352.42 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 8716118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).