N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine

C18H16N4S2 — CID 2457721

IUPACN-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2cccs2)n1N=Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H16N4S2/c1-2-19-18-22(16(12-24-18)17-8-5-9-23-17)21-11-13-10-20-15-7-4-3-6-14(13)15/h3-12,20H,2H2,1H3/b19-18-,21-11?
InChIKeyHVXQSHIEPAGJBO-ZCJNEVSZSA-N
MW352.49 g/mol
LogP4.56
Rot. Bonds4

About N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine

N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 2457721) has the molecular formula C18H16N4S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID2457721
Molecular FormulaC18H16N4S2
Molecular Weight352.49 g/mol
Exact Mass352.08
IUPAC NameN-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2cccs2)n1N=Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H16N4S2/c1-2-19-18-22(16(12-24-18)17-8-5-9-23-17)21-11-13-10-20-15-7-4-3-6-14(13)15/h3-12,20H,2H2,1H3/b19-18-,21-11?
InChIKeyHVXQSHIEPAGJBO-ZCJNEVSZSA-N
XLogP4.56
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1H-indol-3-ylmethylideneamino)-N-(3-methylphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 135799806
N-ethyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23792028
N-benzyl-3-(1H-indol-3-ylmethylideneamino)-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 135799678
3-[(5-bromo-1H-indol-3-yl)methylideneamino]-N-ethyl-4-(furan-2-yl)-1,3-thiazol-2-imine
CID 135580167
N-benzyl-4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135573853
4-(furan-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 2481548
3-(1H-indol-3-ylmethylideneamino)-N,4-dimethyl-1,3-thiazol-2-imine
CID 135676704
3-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23797224
3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 135778600
4-(1-benzofuran-2-yl)-3-(1H-indol-3-ylmethylideneamino)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 135843302
3-[(2-chlorophenyl)methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23934393
(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6901226

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 2457721) is N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine is CC/N=c1\scc(-c2cccs2)n1N=Cc1c[nH]c2ccccc12.
What is the InChIKey of N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is HVXQSHIEPAGJBO-ZCJNEVSZSA-N. The full InChI is InChI=1S/C18H16N4S2/c1-2-19-18-22(16(12-24-18)17-8-5-9-23-17)21-11-13-10-20-15-7-4-3-6-14(13)15/h3-12,20H,2H2,1H3/b19-18-,21-11?.
What are the key properties of N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine?
N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 352.49 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 2457721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).