(2,6-difluorophenyl)-[4-[2-[[3-(hydroxymethyl)thiophen-2-yl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]methanol

C19H14F2N4O2S2 — CID 70038243

IUPAC(2,6-difluorophenyl)-[4-[2-[[3-(hydroxymethyl)thiophen-2-yl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]methanol
SMILESOCc1ccsc1C=NNc1ncnc2sc(C(O)c3c(F)cccc3F)cc12
InChIInChI=1S/C19H14F2N4O2S2/c20-12-2-1-3-13(21)16(12)17(27)14-6-11-18(22-9-23-19(11)29-14)25-24-7-15-10(8-26)4-5-28-15/h1-7,9,17,26-27H,8H2,(H,22,23,25)
InChIKeyRZCVGWIDLMIJGI-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.05
Rot. Bonds6

About (2,6-difluorophenyl)-[4-[2-[[3-(hydroxymethyl)thiophen-2-yl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]methanol

(2,6-difluorophenyl)-[4-[2-[[3-(hydroxymethyl)thiophen-2-yl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]methanol (PubChem CID 70038243) has the molecular formula C19H14F2N4O2S2 and a molecular weight of 432.48 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-[2-[[3-(hydroxymethyl)thiophen-2-yl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]methanol.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[4-[2-[[3-(hydroxymethyl)thiophen-2-yl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]methanol
PubChem CID70038243
Molecular FormulaC19H14F2N4O2S2
Molecular Weight432.48 g/mol
Exact Mass432.05
IUPAC Name(2,6-difluorophenyl)-[4-[2-[[3-(hydroxymethyl)thiophen-2-yl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]methanol
SMILESOCc1ccsc1C=NNc1ncnc2sc(C(O)c3c(F)cccc3F)cc12
InChIInChI=1S/C19H14F2N4O2S2/c20-12-2-1-3-13(21)16(12)17(27)14-6-11-18(22-9-23-19(11)29-14)25-24-7-15-10(8-26)4-5-28-15/h1-7,9,17,26-27H,8H2,(H,22,23,25)
InChIKeyRZCVGWIDLMIJGI-UHFFFAOYSA-N
XLogP4.05
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-[2-[[3-(hydroxymethyl)thiophen-2-yl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]methanol?
The IUPAC name of (2,6-difluorophenyl)-[4-[2-[[3-(hydroxymethyl)thiophen-2-yl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]methanol (CID 70038243) is (2,6-difluorophenyl)-[4-[2-[[3-(hydroxymethyl)thiophen-2-yl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]methanol.
What is the SMILES notation for (2,6-difluorophenyl)-[4-[2-[[3-(hydroxymethyl)thiophen-2-yl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]methanol?
The canonical SMILES for (2,6-difluorophenyl)-[4-[2-[[3-(hydroxymethyl)thiophen-2-yl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]methanol is OCc1ccsc1C=NNc1ncnc2sc(C(O)c3c(F)cccc3F)cc12.
What is the InChIKey of (2,6-difluorophenyl)-[4-[2-[[3-(hydroxymethyl)thiophen-2-yl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]methanol?
The InChIKey is RZCVGWIDLMIJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2S2/c20-12-2-1-3-13(21)16(12)17(27)14-6-11-18(22-9-23-19(11)29-14)25-24-7-15-10(8-26)4-5-28-15/h1-7,9,17,26-27H,8H2,(H,22,23,25).
What are the key properties of (2,6-difluorophenyl)-[4-[2-[[3-(hydroxymethyl)thiophen-2-yl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]methanol?
(2,6-difluorophenyl)-[4-[2-[[3-(hydroxymethyl)thiophen-2-yl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]methanol has a molecular weight of 432.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[4-[2-[[3-(hydroxymethyl)thiophen-2-yl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]methanol is sourced from PubChem (CID 70038243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).