2-N-[(2,6-dimethyl-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine

C19H20N4OS — CID 168628322

IUPAC2-N-[(2,6-dimethyl-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCc1cc(OCc2ccccc2)cc(C)c1C=NNc1nc(N)cs1
InChIInChI=1S/C19H20N4OS/c1-13-8-16(24-11-15-6-4-3-5-7-15)9-14(2)17(13)10-21-23-19-22-18(20)12-25-19/h3-10,12H,11,20H2,1-2H3,(H,22,23)
InChIKeyZPGUCZKOKKECCO-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.37
Rot. Bonds6

About 2-N-[(2,6-dimethyl-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine

2-N-[(2,6-dimethyl-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine (PubChem CID 168628322) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-N-[(2,6-dimethyl-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2,6-dimethyl-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
PubChem CID168628322
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name2-N-[(2,6-dimethyl-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
SMILESCc1cc(OCc2ccccc2)cc(C)c1C=NNc1nc(N)cs1
InChIInChI=1S/C19H20N4OS/c1-13-8-16(24-11-15-6-4-3-5-7-15)9-14(2)17(13)10-21-23-19-22-18(20)12-25-19/h3-10,12H,11,20H2,1-2H3,(H,22,23)
InChIKeyZPGUCZKOKKECCO-UHFFFAOYSA-N
XLogP4.37
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(4-methyl-2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625826
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-phenylmethoxyphenol
CID 168625810
2-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626867
[(2,6-dimethyl-4-phenylmethoxyphenyl)methylideneamino]thiourea
CID 168536428
2-N-[(2,3,4,5,6-pentamethylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626305
2-N-[[3-(prop-2-enoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626078
2-N-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626848
2-N-[[3-[(2-bromophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627303
2-N-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627147
ethyl 2-[2-[2-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624897
2-N-[[3-(methoxymethoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625808
2-N-[[2-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626186

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2,6-dimethyl-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N-[(2,6-dimethyl-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine (CID 168628322) is 2-N-[(2,6-dimethyl-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N-[(2,6-dimethyl-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N-[(2,6-dimethyl-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine is Cc1cc(OCc2ccccc2)cc(C)c1C=NNc1nc(N)cs1.
What is the InChIKey of 2-N-[(2,6-dimethyl-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
The InChIKey is ZPGUCZKOKKECCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-13-8-16(24-11-15-6-4-3-5-7-15)9-14(2)17(13)10-21-23-19-22-18(20)12-25-19/h3-10,12H,11,20H2,1-2H3,(H,22,23).
What are the key properties of 2-N-[(2,6-dimethyl-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine?
2-N-[(2,6-dimethyl-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine has a molecular weight of 352.46 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2,6-dimethyl-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 168628322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).