(Z)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine

C14H16BrN3OS — CID 6895451

IUPAC(Z)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine
SMILESCCn1c(C)cs/c1=N\N=C/c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H16BrN3OS/c1-4-18-10(2)9-20-14(18)17-16-8-11-5-6-13(19-3)12(15)7-11/h5-9H,4H2,1-3H3/b16-8-,17-14-
InChIKeyKESPRRXBNFKHST-QQMIWNJYSA-N
MW354.27 g/mol
LogP3.58
Rot. Bonds4

About (Z)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine

(Z)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine (PubChem CID 6895451) has the molecular formula C14H16BrN3OS and a molecular weight of 354.27 g/mol. Its IUPAC name is (Z)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine
PubChem CID6895451
Molecular FormulaC14H16BrN3OS
Molecular Weight354.27 g/mol
Exact Mass353.02
IUPAC Name(Z)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine
SMILESCCn1c(C)cs/c1=N\N=C/c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H16BrN3OS/c1-4-18-10(2)9-20-14(18)17-16-8-11-5-6-13(19-3)12(15)7-11/h5-9H,4H2,1-3H3/b16-8-,17-14-
InChIKeyKESPRRXBNFKHST-QQMIWNJYSA-N
XLogP3.58
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine with MolForge

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Related Compounds

4-[(E)-[(Z)-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 135666890
1-(3-bromo-4-methoxyphenyl)-N-methoxymethanimine
CID 4181314
2-ethoxy-4-[(Z)-[(Z)-(4-methyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 136911199
5-[(3-bromo-4-methoxyphenyl)methylidene]-2-[(3-bromo-4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135514953
1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 50887206
2-[2-[(3-bromo-4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135479106
2-[2-[(3-bromo-4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135479067
2-[[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-(carboxymethyl)amino]acetic acid
CID 110506957
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]aniline
CID 6073337
4-[(E)-[(Z)-[3-(4-hydroxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]-2-methoxyphenol
CID 135841653
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126309366
4-[(Z)-[(Z)-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]phenol
CID 136757593

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine?
The IUPAC name of (Z)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine (CID 6895451) is (Z)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for (Z)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine?
The canonical SMILES for (Z)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine is CCn1c(C)cs/c1=N\N=C/c1ccc(OC)c(Br)c1.
What is the InChIKey of (Z)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine?
The InChIKey is KESPRRXBNFKHST-QQMIWNJYSA-N. The full InChI is InChI=1S/C14H16BrN3OS/c1-4-18-10(2)9-20-14(18)17-16-8-11-5-6-13(19-3)12(15)7-11/h5-9H,4H2,1-3H3/b16-8-,17-14-.
What are the key properties of (Z)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine?
(Z)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine has a molecular weight of 354.27 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 6895451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).