(Z)-3-ethyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine

C17H16N4O2S — CID 15318681

IUPAC(Z)-3-ethyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
SMILESCCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1cccc(C)n1
InChIInChI=1S/C17H16N4O2S/c1-3-20-15(13-7-9-14(10-8-13)21(22)23)11-24-17(20)19-16-6-4-5-12(2)18-16/h4-11H,3H2,1-2H3/b19-17-
InChIKeyYGAQGIJCYHUFGX-ZPHPHTNESA-N
MW340.41 g/mol
LogP4.08
Rot. Bonds4

About (Z)-3-ethyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine

(Z)-3-ethyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine (PubChem CID 15318681) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is (Z)-3-ethyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(Z)-3-ethyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
PubChem CID15318681
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name(Z)-3-ethyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
SMILESCCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1cccc(C)n1
InChIInChI=1S/C17H16N4O2S/c1-3-20-15(13-7-9-14(10-8-13)21(22)23)11-24-17(20)19-16-6-4-5-12(2)18-16/h4-11H,3H2,1-2H3/b19-17-
InChIKeyYGAQGIJCYHUFGX-ZPHPHTNESA-N
XLogP4.08
TPSA73.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(4-bromophenyl)-3-ethyl-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-imine
CID 10547399
3-butyl-4-(4-nitrophenyl)-N-phenyl-1,3-thiazol-2-imine
CID 3479785
N-(4-methylphenyl)-4-(4-nitrophenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392914
N-(3-methylphenyl)-4-(4-nitrophenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine
CID 138392938
2-[4-(4-nitrophenyl)-2-phenylimino-1,3-thiazol-3-yl]ethanol;hydrobromide
CID 71902601
3-ethyl-N,4-bis(4-methylphenyl)-1,3-thiazol-2-imine
CID 18813132
2-[2-(2-methoxyphenyl)imino-4-(4-nitrophenyl)-1,3-thiazol-3-yl]ethanol
CID 18581571
3-butan-2-yl-N-(4-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 23737785
(1S)-2-[4-(4-methoxyphenyl)-2-phenylimino-1,3-thiazol-3-yl]-1-(4-nitrophenyl)ethanol
CID 1212504
3-ethyl-N-(3-methylphenyl)-4-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 18552881
N-(4-methylphenyl)-4-(3-nitrophenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
CID 23731581
3-ethyl-4-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
CID 5170510

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine?
The IUPAC name of (Z)-3-ethyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine (CID 15318681) is (Z)-3-ethyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine.
What is the SMILES notation for (Z)-3-ethyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine?
The canonical SMILES for (Z)-3-ethyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine is CCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1cccc(C)n1.
What is the InChIKey of (Z)-3-ethyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine?
The InChIKey is YGAQGIJCYHUFGX-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-3-20-15(13-7-9-14(10-8-13)21(22)23)11-24-17(20)19-16-6-4-5-12(2)18-16/h4-11H,3H2,1-2H3/b19-17-.
What are the key properties of (Z)-3-ethyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine?
(Z)-3-ethyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine has a molecular weight of 340.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethyl-N-(6-methyl-2-pyridinyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 15318681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).