N-(furan-2-ylmethyl)-5-[8-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine

C23H22N4OS — CID 90321174

IUPACN-(furan-2-ylmethyl)-5-[8-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine
SMILESC=C/C(C)=C(\C=C/C)c1cc(-c2cnc(NCc3ccco3)s2)cn2ccnc12
InChIInChI=1S/C23H22N4OS/c1-4-7-19(16(3)5-2)20-12-17(15-27-10-9-24-22(20)27)21-14-26-23(29-21)25-13-18-8-6-11-28-18/h4-12,14-15H,2,13H2,1,3H3,(H,25,26)/b7-4-,19-16+
InChIKeyWXVMVTZRRJJYKY-OGFSNLOFSA-N
MW402.52 g/mol
LogP6.20
Rot. Bonds7

About N-(furan-2-ylmethyl)-5-[8-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine

N-(furan-2-ylmethyl)-5-[8-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine (PubChem CID 90321174) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-[8-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-[8-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine
PubChem CID90321174
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC NameN-(furan-2-ylmethyl)-5-[8-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine
SMILESC=C/C(C)=C(\C=C/C)c1cc(-c2cnc(NCc3ccco3)s2)cn2ccnc12
InChIInChI=1S/C23H22N4OS/c1-4-7-19(16(3)5-2)20-12-17(15-27-10-9-24-22(20)27)21-14-26-23(29-21)25-13-18-8-6-11-28-18/h4-12,14-15H,2,13H2,1,3H3,(H,25,26)/b7-4-,19-16+
InChIKeyWXVMVTZRRJJYKY-OGFSNLOFSA-N
XLogP6.20
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(furan-2-ylmethyl)-5-[8-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-[8-(2-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-N-(pyridin-2-ylmethyl)-1,3-thiazol-2-amine
CID 58207947
4-[2-(furan-2-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2,6-dimethylphenol
CID 44816263
N-(furan-2-ylmethyl)-5-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 126469219
N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1252016
N-ethyl-8-(furan-2-ylmethoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80858397
6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 2837436
4-[6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]benzonitrile
CID 58523975
[3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 126472649
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 9167847
(1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 94189098
N-(furan-2-ylmethyl)-6-hydrazinyl-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 80907040

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-[8-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-5-[8-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine (CID 90321174) is N-(furan-2-ylmethyl)-5-[8-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-[8-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-5-[8-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine is C=C/C(C)=C(\C=C/C)c1cc(-c2cnc(NCc3ccco3)s2)cn2ccnc12.
What is the InChIKey of N-(furan-2-ylmethyl)-5-[8-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine?
The InChIKey is WXVMVTZRRJJYKY-OGFSNLOFSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-4-7-19(16(3)5-2)20-12-17(15-27-10-9-24-22(20)27)21-14-26-23(29-21)25-13-18-8-6-11-28-18/h4-12,14-15H,2,13H2,1,3H3,(H,25,26)/b7-4-,19-16+.
What are the key properties of N-(furan-2-ylmethyl)-5-[8-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine?
N-(furan-2-ylmethyl)-5-[8-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine has a molecular weight of 402.52 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-[8-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 90321174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).