(E,2Z)-N-(1,3-thiazol-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine

C16H17N3S — CID 21179241

IUPAC(E,2Z)-N-(1,3-thiazol-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
SMILESCN1/C(=C\C=N\c2nccs2)C(C)(C)c2ccccc21
InChIInChI=1S/C16H17N3S/c1-16(2)12-6-4-5-7-13(12)19(3)14(16)8-9-17-15-18-10-11-20-15/h4-11H,1-3H3/b14-8-,17-9+
InChIKeyUSGLCUILOWDZIJ-LIFAMERMSA-N
MW283.40 g/mol
LogP4.16
Rot. Bonds2

About (E,2Z)-N-(1,3-thiazol-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine

(E,2Z)-N-(1,3-thiazol-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine (PubChem CID 21179241) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is (E,2Z)-N-(1,3-thiazol-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine.

Molecular Properties

Compound Name(E,2Z)-N-(1,3-thiazol-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
PubChem CID21179241
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name(E,2Z)-N-(1,3-thiazol-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
SMILESCN1/C(=C\C=N\c2nccs2)C(C)(C)c2ccccc21
InChIInChI=1S/C16H17N3S/c1-16(2)12-6-4-5-7-13(12)19(3)14(16)8-9-17-15-18-10-11-20-15/h4-11H,1-3H3/b14-8-,17-9+
InChIKeyUSGLCUILOWDZIJ-LIFAMERMSA-N
XLogP4.16
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N-pyridin-4-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 21179247
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
(2Z)-N-(4-phenyldiazenylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 30223942
(2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2334878
N-naphthalen-2-yl-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2830673
N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 5215508
N-(4-iodo-3-methylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 4087183
N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride
CID 170839740
(2E)-N-(2,3,4-trifluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2346200
(E,2E)-N-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 177394036
dimethyl-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]azanium
CID 18526952
(2Z)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2376526

Frequently Asked Questions

What is the IUPAC name of (E,2Z)-N-(1,3-thiazol-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The IUPAC name of (E,2Z)-N-(1,3-thiazol-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine (CID 21179241) is (E,2Z)-N-(1,3-thiazol-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine.
What is the SMILES notation for (E,2Z)-N-(1,3-thiazol-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The canonical SMILES for (E,2Z)-N-(1,3-thiazol-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine is CN1/C(=C\C=N\c2nccs2)C(C)(C)c2ccccc21.
What is the InChIKey of (E,2Z)-N-(1,3-thiazol-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
The InChIKey is USGLCUILOWDZIJ-LIFAMERMSA-N. The full InChI is InChI=1S/C16H17N3S/c1-16(2)12-6-4-5-7-13(12)19(3)14(16)8-9-17-15-18-10-11-20-15/h4-11H,1-3H3/b14-8-,17-9+.
What are the key properties of (E,2Z)-N-(1,3-thiazol-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine?
(E,2Z)-N-(1,3-thiazol-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine has a molecular weight of 283.40 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z)-N-(1,3-thiazol-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine is sourced from PubChem (CID 21179241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).