4-methyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine

C20H21N3OS — CID 168619483

IUPAC4-methyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc(Oc3ccc(C(C)C)cc3)cc2)n1
InChIInChI=1S/C20H21N3OS/c1-14(2)17-6-10-19(11-7-17)24-18-8-4-16(5-9-18)12-21-23-20-22-15(3)13-25-20/h4-14H,1-3H3,(H,22,23)
InChIKeyILIZBQMNGKFGCE-UHFFFAOYSA-N
MW351.48 g/mol
LogP5.81
Rot. Bonds6

About 4-methyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine

4-methyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 168619483) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 4-methyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
PubChem CID168619483
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name4-methyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc(Oc3ccc(C(C)C)cc3)cc2)n1
InChIInChI=1S/C20H21N3OS/c1-14(2)17-6-10-19(11-7-17)24-18-8-4-16(5-9-18)12-21-23-20-22-15(3)13-25-20/h4-14H,1-3H3,(H,22,23)
InChIKeyILIZBQMNGKFGCE-UHFFFAOYSA-N
XLogP5.81
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.48
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[4-(4-chlorophenoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617133
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 5348565
N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619386
N-[(4-ethylsulfanylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617991
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine;hydrochloride
CID 54602728
4-(4-chlorophenyl)-N-[(4-propan-2-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 5230372
N-[(Z)-(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 110538141
6-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]hexanenitrile
CID 168618709
4-(4-bromophenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 22308276
[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 168618466
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618498
4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168600655

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine (CID 168619483) is 4-methyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine is Cc1csc(NN=Cc2ccc(Oc3ccc(C(C)C)cc3)cc2)n1.
What is the InChIKey of 4-methyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is ILIZBQMNGKFGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-14(2)17-6-10-19(11-7-17)24-18-8-4-16(5-9-18)12-21-23-20-22-15(3)13-25-20/h4-14H,1-3H3,(H,22,23).
What are the key properties of 4-methyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine?
4-methyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 351.48 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(4-propan-2-ylphenoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 168619483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).