(4Z,5Z)-4-ethylidene-2-N-[5-(1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-yl]octa-5,7-diene-1,2-diamine

C20H22N6S — CID 143648900

IUPAC(4Z,5Z)-4-ethylidene-2-N-[5-(1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-yl]octa-5,7-diene-1,2-diamine
SMILESC=C/C=C\C(=C/C)CC(CN)Nc1nnc(-c2ccc3cnccc3n2)s1
InChIInChI=1S/C20H22N6S/c1-3-5-6-14(4-2)11-16(12-21)23-20-26-25-19(27-20)18-8-7-15-13-22-10-9-17(15)24-18/h3-10,13,16H,1,11-12,21H2,2H3,(H,23,26)/b6-5-,14-4+
InChIKeyCSGCDMRFHLNOSO-NDJUKFIMSA-N
MW378.51 g/mol
LogP3.97
Rot. Bonds8

About (4Z,5Z)-4-ethylidene-2-N-[5-(1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-yl]octa-5,7-diene-1,2-diamine

(4Z,5Z)-4-ethylidene-2-N-[5-(1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-yl]octa-5,7-diene-1,2-diamine (PubChem CID 143648900) has the molecular formula C20H22N6S and a molecular weight of 378.51 g/mol. Its IUPAC name is (4Z,5Z)-4-ethylidene-2-N-[5-(1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-yl]octa-5,7-diene-1,2-diamine.

Molecular Properties

Compound Name(4Z,5Z)-4-ethylidene-2-N-[5-(1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-yl]octa-5,7-diene-1,2-diamine
PubChem CID143648900
Molecular FormulaC20H22N6S
Molecular Weight378.51 g/mol
Exact Mass378.16
IUPAC Name(4Z,5Z)-4-ethylidene-2-N-[5-(1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-yl]octa-5,7-diene-1,2-diamine
SMILESC=C/C=C\C(=C/C)CC(CN)Nc1nnc(-c2ccc3cnccc3n2)s1
InChIInChI=1S/C20H22N6S/c1-3-5-6-14(4-2)11-16(12-21)23-20-26-25-19(27-20)18-8-7-15-13-22-10-9-17(15)24-18/h3-10,13,16H,1,11-12,21H2,2H3,(H,23,26)/b6-5-,14-4+
InChIKeyCSGCDMRFHLNOSO-NDJUKFIMSA-N
XLogP3.97
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4Z,5Z)-4-ethylidene-2-N-[5-(1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-yl]octa-5,7-diene-1,2-diamine 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

A-83-01
CID 16218924
Acridin-9-yl-(5-ethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 5027228
(S)-N1-(5-(isoquinolin-6-yl)-1,3,4-thiadiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 11568147
2-(4-Piperidin-1-ylpiperidin-1-yl)-5-quinolin-8-yl-1,3,4-thiadiazole
CID 45377641
(S)-N1-(5-(3-methylisoquinolin-6-yl)-1,3,4-thiadiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 46880407
N-methyl-5-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
CID 90282440
N-(5-propyl-1,3,4-thiadiazol-2-yl)-9-acridinamine
CID 2945039
N-(4-ethylphenyl)-4-methyl-5-pyridin-4-yl-1,3,4-thiadiazol-4-ium-2-amine chloride
CID 24789696
Acridin-9-yl-(5-methyl-[1,3,4]thiadiazol-2-yl)-amine
CID 3158320
Guanidine, N-cyclohexyl-N'-(2-methyl-4-quinolinyl)-N''-(5-methyl-1,3,4-thiadiazol-2-yl)-
CID 3054272
Guanidine, N-(1,1-dimethylethyl)-N'-(2-methyl-4-quinolinyl)-N''-(5-methyl-1,3,4-thiadiazol-2-yl)-
CID 3054275
5-Phenyl-3-(quinolin-8-ylmethyl)-1,3,4-thiadiazol-3-ium-2-amine bromide
CID 16196379

Frequently Asked Questions

What is the IUPAC name of (4Z,5Z)-4-ethylidene-2-N-[5-(1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-yl]octa-5,7-diene-1,2-diamine?
The IUPAC name of (4Z,5Z)-4-ethylidene-2-N-[5-(1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-yl]octa-5,7-diene-1,2-diamine (CID 143648900) is (4Z,5Z)-4-ethylidene-2-N-[5-(1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-yl]octa-5,7-diene-1,2-diamine.
What is the SMILES notation for (4Z,5Z)-4-ethylidene-2-N-[5-(1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-yl]octa-5,7-diene-1,2-diamine?
The canonical SMILES for (4Z,5Z)-4-ethylidene-2-N-[5-(1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-yl]octa-5,7-diene-1,2-diamine is C=C/C=C\C(=C/C)CC(CN)Nc1nnc(-c2ccc3cnccc3n2)s1.
What is the InChIKey of (4Z,5Z)-4-ethylidene-2-N-[5-(1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-yl]octa-5,7-diene-1,2-diamine?
The InChIKey is CSGCDMRFHLNOSO-NDJUKFIMSA-N. The full InChI is InChI=1S/C20H22N6S/c1-3-5-6-14(4-2)11-16(12-21)23-20-26-25-19(27-20)18-8-7-15-13-22-10-9-17(15)24-18/h3-10,13,16H,1,11-12,21H2,2H3,(H,23,26)/b6-5-,14-4+.
What are the key properties of (4Z,5Z)-4-ethylidene-2-N-[5-(1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-yl]octa-5,7-diene-1,2-diamine?
(4Z,5Z)-4-ethylidene-2-N-[5-(1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-yl]octa-5,7-diene-1,2-diamine has a molecular weight of 378.51 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5Z)-4-ethylidene-2-N-[5-(1,6-naphthyridin-2-yl)-1,3,4-thiadiazol-2-yl]octa-5,7-diene-1,2-diamine is sourced from PubChem (CID 143648900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).