3-(1,3-benzodioxol-5-ylmethylideneamino)-4-phenyl-N-propan-2-yl-1,3-thiazol-2-imine

C20H19N3O2S — CID 23850582

IUPAC3-(1,3-benzodioxol-5-ylmethylideneamino)-4-phenyl-N-propan-2-yl-1,3-thiazol-2-imine
SMILESCC(C)/N=c1\scc(-c2ccccc2)n1N=Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H19N3O2S/c1-14(2)22-20-23(17(12-26-20)16-6-4-3-5-7-16)21-11-15-8-9-18-19(10-15)25-13-24-18/h3-12,14H,13H2,1-2H3/b21-11?,22-20-
InChIKeyNDQCZTOGVCDGGF-KIFRNZIQSA-N
MW365.46 g/mol
LogP4.14
Rot. Bonds4

About 3-(1,3-benzodioxol-5-ylmethylideneamino)-4-phenyl-N-propan-2-yl-1,3-thiazol-2-imine

3-(1,3-benzodioxol-5-ylmethylideneamino)-4-phenyl-N-propan-2-yl-1,3-thiazol-2-imine (PubChem CID 23850582) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-ylmethylideneamino)-4-phenyl-N-propan-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-ylmethylideneamino)-4-phenyl-N-propan-2-yl-1,3-thiazol-2-imine
PubChem CID23850582
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name3-(1,3-benzodioxol-5-ylmethylideneamino)-4-phenyl-N-propan-2-yl-1,3-thiazol-2-imine
SMILESCC(C)/N=c1\scc(-c2ccccc2)n1N=Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H19N3O2S/c1-14(2)22-20-23(17(12-26-20)16-6-4-3-5-7-16)21-11-15-8-9-18-19(10-15)25-13-24-18/h3-12,14H,13H2,1-2H3/b21-11?,22-20-
InChIKeyNDQCZTOGVCDGGF-KIFRNZIQSA-N
XLogP4.14
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(1,3-benzodioxol-5-ylmethylideneamino)-4-phenyl-N-propan-2-yl-1,3-thiazol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3-[(4-phenyl-2-propan-2-ylimino-1,3-thiazol-3-yl)iminomethyl]benzene-1,2-diol
CID 135776272
3-(1,3-benzodioxol-5-ylmethylideneamino)-4-(3,4-dichlorophenyl)-N-ethyl-1,3-thiazol-2-imine
CID 3927891
3-(1,3-benzodioxol-5-ylmethylideneamino)-4-(4-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23824107
3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-(3-nitrophenyl)-N-propan-2-yl-1,3-thiazol-2-imine
CID 23829130
(Z)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-imine
CID 6017220
6-[3-[(3,4-dihydroxyphenyl)methylideneamino]-2-propan-2-ylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 135839078
3-(1,3-benzodioxol-5-ylmethylideneamino)-N-(2-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23987069
3-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]-4-(4-nitrophenyl)-N-propan-2-yl-1,3-thiazol-2-imine
CID 2477139
6-[3-[(2-hydroxyphenyl)methylideneamino]-2-propan-2-ylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 135573752
(E)-3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-ethyl-4-methyl-1,3-thiazol-2-imine;hydrochloride
CID 45356300
4-(4-cyclohexylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 23911814

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-ylmethylideneamino)-4-phenyl-N-propan-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-(1,3-benzodioxol-5-ylmethylideneamino)-4-phenyl-N-propan-2-yl-1,3-thiazol-2-imine (CID 23850582) is 3-(1,3-benzodioxol-5-ylmethylideneamino)-4-phenyl-N-propan-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-ylmethylideneamino)-4-phenyl-N-propan-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(1,3-benzodioxol-5-ylmethylideneamino)-4-phenyl-N-propan-2-yl-1,3-thiazol-2-imine is CC(C)/N=c1\scc(-c2ccccc2)n1N=Cc1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-ylmethylideneamino)-4-phenyl-N-propan-2-yl-1,3-thiazol-2-imine?
The InChIKey is NDQCZTOGVCDGGF-KIFRNZIQSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14(2)22-20-23(17(12-26-20)16-6-4-3-5-7-16)21-11-15-8-9-18-19(10-15)25-13-24-18/h3-12,14H,13H2,1-2H3/b21-11?,22-20-.
What are the key properties of 3-(1,3-benzodioxol-5-ylmethylideneamino)-4-phenyl-N-propan-2-yl-1,3-thiazol-2-imine?
3-(1,3-benzodioxol-5-ylmethylideneamino)-4-phenyl-N-propan-2-yl-1,3-thiazol-2-imine has a molecular weight of 365.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-ylmethylideneamino)-4-phenyl-N-propan-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23850582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).