5-(4-tert-butylphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine

C21H23N3OS — CID 86765274

IUPAC5-(4-tert-butylphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(/C=N/Nc2ncc(-c3ccc(C(C)(C)C)cc3)s2)cc1
InChIInChI=1S/C21H23N3OS/c1-21(2,3)17-9-7-16(8-10-17)19-14-22-20(26-19)24-23-13-15-5-11-18(25-4)12-6-15/h5-14H,1-4H3,(H,22,24)/b23-13+
InChIKeyJMEVRXMFRKGAAZ-YDZHTSKRSA-N
MW365.50 g/mol
LogP5.56
Rot. Bonds5

About 5-(4-tert-butylphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine

5-(4-tert-butylphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 86765274) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID86765274
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name5-(4-tert-butylphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(/C=N/Nc2ncc(-c3ccc(C(C)(C)C)cc3)s2)cc1
InChIInChI=1S/C21H23N3OS/c1-21(2,3)17-9-7-16(8-10-17)19-14-22-20(26-19)24-23-13-15-5-11-18(25-4)12-6-15/h5-14H,1-4H3,(H,22,24)/b23-13+
InChIKeyJMEVRXMFRKGAAZ-YDZHTSKRSA-N
XLogP5.56
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.56
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-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 116811972
N-[(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74253241
N-[(4-ethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 3820955
4-(4-methoxyphenyl)-N-[(Z)-(4-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110534560
N-[(Z)-(4-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533621
N-[(4-chlorophenyl)methylideneamino]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 4150283
4-[[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 3664485
4-[(Z)-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135754061
2,6-ditert-butyl-4-[2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol bromide
CID 21179316
N-[(4-chlorophenyl)methylideneamino]-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-amine
CID 2746853
2-chloro-5-[4-(4-methoxyphenyl)phenyl]-1,3-thiazole
CID 21408740
N-[[3-(4-methoxyphenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617631

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-tert-butylphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine (CID 86765274) is 5-(4-tert-butylphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-tert-butylphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is COc1ccc(/C=N/Nc2ncc(-c3ccc(C(C)(C)C)cc3)s2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is JMEVRXMFRKGAAZ-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-21(2,3)17-9-7-16(8-10-17)19-14-22-20(26-19)24-23-13-15-5-11-18(25-4)12-6-15/h5-14H,1-4H3,(H,22,24)/b23-13+.
What are the key properties of 5-(4-tert-butylphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
5-(4-tert-butylphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 365.50 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 86765274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).