(Z)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine

C14H16BrN3S — CID 7346416

IUPAC(Z)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine
SMILESCCn1c(C)cs/c1=N\N=C(\C)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrN3S/c1-4-18-10(2)9-19-14(18)17-16-11(3)12-5-7-13(15)8-6-12/h5-9H,4H2,1-3H3/b16-11-,17-14-
InChIKeyGQWPANXECPGWAF-MJZIEMGNSA-N
MW338.27 g/mol
LogP3.97
Rot. Bonds3

About (Z)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine

(Z)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine (PubChem CID 7346416) has the molecular formula C14H16BrN3S and a molecular weight of 338.27 g/mol. Its IUPAC name is (Z)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(Z)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine
PubChem CID7346416
Molecular FormulaC14H16BrN3S
Molecular Weight338.27 g/mol
Exact Mass337.02
IUPAC Name(Z)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine
SMILESCCn1c(C)cs/c1=N\N=C(\C)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrN3S/c1-4-18-10(2)9-19-14(18)17-16-11(3)12-5-7-13(15)8-6-12/h5-9H,4H2,1-3H3/b16-11-,17-14-
InChIKeyGQWPANXECPGWAF-MJZIEMGNSA-N
XLogP3.97
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

methyl (NE)-N'-[(E)-1-(4-bromophenyl)ethylideneamino]-N-(dimethylaminomethylidene)carbamimidothioate
CID 9555631
5-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine
CID 10391783
5(4'-Bromophenyl)-2-thiomorpholin-4-yl-6h-1,3,4-thiadiazine hydrobromide
CID 129870441
5-(4-bromophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225336
5-(4-bromophenyl)-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
CID 139225337
5-(4-bromophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide
CID 139225345
3-[(4-bromophenyl)methylideneamino]-N-ethyl-4-methyl-1,3-thiazol-2-imine
CID 2385650
(E)-3-[(E)-(4-bromophenyl)methylideneamino]-N-ethyl-4-methyl-1,3-thiazol-2-imine
CID 6903599
(Z)-3-benzyl-4-(4-bromophenyl)-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-imine
CID 72723205
2-(azepan-1-yl)-5-(4-bromophenyl)-6H-1,3,4-thiadiazine
CID 18356928
(Z)-4-(4-bromophenyl)-3-methyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine
CID 87804871
4-(4-bromophenyl)-3-methyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine
CID 91250733

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine?
The IUPAC name of (Z)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine (CID 7346416) is (Z)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for (Z)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine?
The canonical SMILES for (Z)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine is CCn1c(C)cs/c1=N\N=C(\C)c1ccc(Br)cc1.
What is the InChIKey of (Z)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine?
The InChIKey is GQWPANXECPGWAF-MJZIEMGNSA-N. The full InChI is InChI=1S/C14H16BrN3S/c1-4-18-10(2)9-19-14(18)17-16-11(3)12-5-7-13(15)8-6-12/h5-9H,4H2,1-3H3/b16-11-,17-14-.
What are the key properties of (Z)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine?
(Z)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine has a molecular weight of 338.27 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-ethyl-4-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 7346416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).