N-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C20H21N3O2S — CID 168577257

IUPACN-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCCOc1c(C=NNc2nc(-c3ccccc3)cs2)cccc1OC
InChIInChI=1S/C20H21N3O2S/c1-3-12-25-19-16(10-7-11-18(19)24-2)13-21-23-20-22-17(14-26-20)15-8-5-4-6-9-15/h4-11,13-14H,3,12H2,1-2H3,(H,22,23)
InChIKeyWFGZPRHOICBGBZ-UHFFFAOYSA-N
MW367.47 g/mol
LogP5.05
Rot. Bonds8

About N-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168577257) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168577257
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCCCOc1c(C=NNc2nc(-c3ccccc3)cs2)cccc1OC
InChIInChI=1S/C20H21N3O2S/c1-3-12-25-19-16(10-7-11-18(19)24-2)13-21-23-20-22-17(14-26-20)15-8-5-4-6-9-15/h4-11,13-14H,3,12H2,1-2H3,(H,22,23)
InChIKeyWFGZPRHOICBGBZ-UHFFFAOYSA-N
XLogP5.05
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.47
LogP ≤ 55.05
H-Bond Donors ≤ 51
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

N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579164
N-[(3-chloro-5-methoxy-4-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578842
N-[[3-methoxy-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578782
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 110339285
N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
CID 40562842
N-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 74170624
N-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579344
4-phenyl-N-[[2-(propoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577150
N-[(2-methyl-4-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577174
4-(3-methoxyphenyl)-N-[(Z)-(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110536568
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2845165
N-[(6-bromo-2,3-dimethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576749

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168577257) is N-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is CCCOc1c(C=NNc2nc(-c3ccccc3)cs2)cccc1OC.
What is the InChIKey of N-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is WFGZPRHOICBGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-3-12-25-19-16(10-7-11-18(19)24-2)13-21-23-20-22-17(14-26-20)15-8-5-4-6-9-15/h4-11,13-14H,3,12H2,1-2H3,(H,22,23).
What are the key properties of N-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 367.47 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-2-propoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168577257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).