(Z,2E)-2-(aminomethylidene)-1-[4-(3-fluorophenyl)-2-thiophen-2-ylthiophen-3-yl]pent-3-en-1-ol

C20H18FNOS2 — CID 143495084

IUPAC(Z,2E)-2-(aminomethylidene)-1-[4-(3-fluorophenyl)-2-thiophen-2-ylthiophen-3-yl]pent-3-en-1-ol
SMILESC/C=C\C(=C/N)C(O)c1c(-c2cccc(F)c2)csc1-c1cccs1
InChIInChI=1S/C20H18FNOS2/c1-2-5-14(11-22)19(23)18-16(13-6-3-7-15(21)10-13)12-25-20(18)17-8-4-9-24-17/h2-12,19,23H,22H2,1H3/b5-2-,14-11+
InChIKeyGWQVJVSKJWZUBH-KXKYDYBDSA-N
MW371.50 g/mol
LogP5.73
Rot. Bonds5

About (Z,2E)-2-(aminomethylidene)-1-[4-(3-fluorophenyl)-2-thiophen-2-ylthiophen-3-yl]pent-3-en-1-ol

(Z,2E)-2-(aminomethylidene)-1-[4-(3-fluorophenyl)-2-thiophen-2-ylthiophen-3-yl]pent-3-en-1-ol (PubChem CID 143495084) has the molecular formula C20H18FNOS2 and a molecular weight of 371.50 g/mol. Its IUPAC name is (Z,2E)-2-(aminomethylidene)-1-[4-(3-fluorophenyl)-2-thiophen-2-ylthiophen-3-yl]pent-3-en-1-ol.

Molecular Properties

Compound Name(Z,2E)-2-(aminomethylidene)-1-[4-(3-fluorophenyl)-2-thiophen-2-ylthiophen-3-yl]pent-3-en-1-ol
PubChem CID143495084
Molecular FormulaC20H18FNOS2
Molecular Weight371.50 g/mol
Exact Mass371.08
IUPAC Name(Z,2E)-2-(aminomethylidene)-1-[4-(3-fluorophenyl)-2-thiophen-2-ylthiophen-3-yl]pent-3-en-1-ol
SMILESC/C=C\C(=C/N)C(O)c1c(-c2cccc(F)c2)csc1-c1cccs1
InChIInChI=1S/C20H18FNOS2/c1-2-5-14(11-22)19(23)18-16(13-6-3-7-15(21)10-13)12-25-20(18)17-8-4-9-24-17/h2-12,19,23H,22H2,1H3/b5-2-,14-11+
InChIKeyGWQVJVSKJWZUBH-KXKYDYBDSA-N
XLogP5.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.50
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-Difluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol
CID 58568109
1-(2,6-Difluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol
CID 58568112
1-(4-Fluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol
CID 58568116
1-(3-Fluorophenyl)-2-(2-thiophen-2-ylthiophen-3-yl)propan-2-ol
CID 58568189
[4-[[(2R)-2-amino-3-fluoropropyl]sulfanyl-phenyl-thiophen-3-ylmethyl]phenyl]methanol
CID 71196749
1,2-Dihydropyridin-5-yl-[4-(2-fluoro-4-methylphenyl)-2-(2-fluorophenyl)thiophen-3-yl]methanol
CID 143494974
1-Phenyl-2,5-dithiophen-2-ylhepta-2,3,4-trien-1-ol
CID 102255130
2-(4-Fluorophenyl)-2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol
CID 65104951
3-Amino-2-(2-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol
CID 65185163
3-Amino-2-(4-fluorophenyl)-1-thiophen-2-ylpropan-1-ol
CID 65185171
3-amino-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-fluorophenyl)propan-1-ol
CID 65185324
3-Amino-2-(2-fluorophenyl)-1-thiophen-3-ylpropan-1-ol
CID 65185414

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-(aminomethylidene)-1-[4-(3-fluorophenyl)-2-thiophen-2-ylthiophen-3-yl]pent-3-en-1-ol?
The IUPAC name of (Z,2E)-2-(aminomethylidene)-1-[4-(3-fluorophenyl)-2-thiophen-2-ylthiophen-3-yl]pent-3-en-1-ol (CID 143495084) is (Z,2E)-2-(aminomethylidene)-1-[4-(3-fluorophenyl)-2-thiophen-2-ylthiophen-3-yl]pent-3-en-1-ol.
What is the SMILES notation for (Z,2E)-2-(aminomethylidene)-1-[4-(3-fluorophenyl)-2-thiophen-2-ylthiophen-3-yl]pent-3-en-1-ol?
The canonical SMILES for (Z,2E)-2-(aminomethylidene)-1-[4-(3-fluorophenyl)-2-thiophen-2-ylthiophen-3-yl]pent-3-en-1-ol is C/C=C\C(=C/N)C(O)c1c(-c2cccc(F)c2)csc1-c1cccs1.
What is the InChIKey of (Z,2E)-2-(aminomethylidene)-1-[4-(3-fluorophenyl)-2-thiophen-2-ylthiophen-3-yl]pent-3-en-1-ol?
The InChIKey is GWQVJVSKJWZUBH-KXKYDYBDSA-N. The full InChI is InChI=1S/C20H18FNOS2/c1-2-5-14(11-22)19(23)18-16(13-6-3-7-15(21)10-13)12-25-20(18)17-8-4-9-24-17/h2-12,19,23H,22H2,1H3/b5-2-,14-11+.
What are the key properties of (Z,2E)-2-(aminomethylidene)-1-[4-(3-fluorophenyl)-2-thiophen-2-ylthiophen-3-yl]pent-3-en-1-ol?
(Z,2E)-2-(aminomethylidene)-1-[4-(3-fluorophenyl)-2-thiophen-2-ylthiophen-3-yl]pent-3-en-1-ol has a molecular weight of 371.50 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-(aminomethylidene)-1-[4-(3-fluorophenyl)-2-thiophen-2-ylthiophen-3-yl]pent-3-en-1-ol is sourced from PubChem (CID 143495084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).