N-[2-[2,3-bis(ethenyl)-4-pyridinyl]-1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane;N-[1-(furan-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine;N-(2-pyridin-4-yl-1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine

C50H61N9O2S4 — CID 143697397

IUPACN-[2-[2,3-bis(ethenyl)-4-pyridinyl]-1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane;N-[1-(furan-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine;N-(2-pyridin-4-yl-1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC=Cc1nccc(CC(NC2=NCCS2)c2ccco2)c1C=C.CC.CC.c1ccc(CC(NC2=NCCS2)c2ccco2)nc1.c1csc(C(Cc2ccncc2)NC2=NCCS2)c1
InChIInChI=1S/C18H19N3OS.C14H15N3OS.C14H15N3S2.2C2H6/c1-3-14-13(7-8-19-15(14)4-2)12-16(17-6-5-10-22-17)21-18-20-9-11-23-18;1-2-6-15-11(4-1)10-12(13-5-3-8-18-13)17-14-16-7-9-19-14;1-2-13(18-8-1)12(17-14-16-7-9-19-14)10-11-3-5-15-6-4-11;2*1-2/h3-8,10,16H,1-2,9,11-12H2,(H,20,21);2*1-6,8,12H,7,9-10H2,(H,16,17);2*1-2H3
InChIKeyQZQUOIZTNGUXCE-UHFFFAOYSA-N
MW948.37 g/mol
LogP11.76
Rot. Bonds14

About N-[2-[2,3-bis(ethenyl)-4-pyridinyl]-1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane;N-[1-(furan-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine;N-(2-pyridin-4-yl-1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine

N-[2-[2,3-bis(ethenyl)-4-pyridinyl]-1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane;N-[1-(furan-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine;N-(2-pyridin-4-yl-1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 143697397) has the molecular formula C50H61N9O2S4 and a molecular weight of 948.37 g/mol. Its IUPAC name is N-[2-[2,3-bis(ethenyl)-4-pyridinyl]-1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane;N-[1-(furan-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine;N-(2-pyridin-4-yl-1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-[2,3-bis(ethenyl)-4-pyridinyl]-1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane;N-[1-(furan-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine;N-(2-pyridin-4-yl-1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID143697397
Molecular FormulaC50H61N9O2S4
Molecular Weight948.37 g/mol
Exact Mass947.38
IUPAC NameN-[2-[2,3-bis(ethenyl)-4-pyridinyl]-1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane;N-[1-(furan-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine;N-(2-pyridin-4-yl-1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC=Cc1nccc(CC(NC2=NCCS2)c2ccco2)c1C=C.CC.CC.c1ccc(CC(NC2=NCCS2)c2ccco2)nc1.c1csc(C(Cc2ccncc2)NC2=NCCS2)c1
InChIInChI=1S/C18H19N3OS.C14H15N3OS.C14H15N3S2.2C2H6/c1-3-14-13(7-8-19-15(14)4-2)12-16(17-6-5-10-22-17)21-18-20-9-11-23-18;1-2-6-15-11(4-1)10-12(13-5-3-8-18-13)17-14-16-7-9-19-14;1-2-13(18-8-1)12(17-14-16-7-9-19-14)10-11-3-5-15-6-4-11;2*1-2/h3-8,10,16H,1-2,9,11-12H2,(H,20,21);2*1-6,8,12H,7,9-10H2,(H,16,17);2*1-2H3
InChIKeyQZQUOIZTNGUXCE-UHFFFAOYSA-N
XLogP11.76
TPSA138.12 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500948.37
LogP ≤ 511.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze N-[2-[2,3-bis(ethenyl)-4-pyridinyl]-1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane;N-[1-(furan-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine;N-(2-pyridin-4-yl-1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2,3-bis(ethenyl)-4-pyridinyl]-1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane;N-[1-(furan-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine;N-(2-pyridin-4-yl-1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-[2,3-bis(ethenyl)-4-pyridinyl]-1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane;N-[1-(furan-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine;N-(2-pyridin-4-yl-1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 143697397) is N-[2-[2,3-bis(ethenyl)-4-pyridinyl]-1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane;N-[1-(furan-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine;N-(2-pyridin-4-yl-1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-[2,3-bis(ethenyl)-4-pyridinyl]-1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane;N-[1-(furan-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine;N-(2-pyridin-4-yl-1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-[2,3-bis(ethenyl)-4-pyridinyl]-1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane;N-[1-(furan-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine;N-(2-pyridin-4-yl-1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine is C=Cc1nccc(CC(NC2=NCCS2)c2ccco2)c1C=C.CC.CC.c1ccc(CC(NC2=NCCS2)c2ccco2)nc1.c1csc(C(Cc2ccncc2)NC2=NCCS2)c1.
What is the InChIKey of N-[2-[2,3-bis(ethenyl)-4-pyridinyl]-1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane;N-[1-(furan-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine;N-(2-pyridin-4-yl-1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is QZQUOIZTNGUXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS.C14H15N3OS.C14H15N3S2.2C2H6/c1-3-14-13(7-8-19-15(14)4-2)12-16(17-6-5-10-22-17)21-18-20-9-11-23-18;1-2-6-15-11(4-1)10-12(13-5-3-8-18-13)17-14-16-7-9-19-14;1-2-13(18-8-1)12(17-14-16-7-9-19-14)10-11-3-5-15-6-4-11;2*1-2/h3-8,10,16H,1-2,9,11-12H2,(H,20,21);2*1-6,8,12H,7,9-10H2,(H,16,17);2*1-2H3.
What are the key properties of N-[2-[2,3-bis(ethenyl)-4-pyridinyl]-1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane;N-[1-(furan-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine;N-(2-pyridin-4-yl-1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-[2,3-bis(ethenyl)-4-pyridinyl]-1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane;N-[1-(furan-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine;N-(2-pyridin-4-yl-1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 948.37 g/mol, XLogP of 11.76, 14 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,3-bis(ethenyl)-4-pyridinyl]-1-(furan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine;ethane;N-[1-(furan-2-yl)-2-pyridin-2-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine;N-(2-pyridin-4-yl-1-thiophen-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 143697397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).