N-[[5-[5-(3,5-difluoro-4-hydroxyphenyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide

C20H14F2N4O2S2 — CID 162757732

IUPACN-[[5-[5-(3,5-difluoro-4-hydroxyphenyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide
SMILESCc1nc(CNC(=O)c2cccnn2)sc1-c1csc(-c2cc(F)c(O)c(F)c2)c1
InChIInChI=1S/C20H14F2N4O2S2/c1-10-19(30-17(25-10)8-23-20(28)15-3-2-4-24-26-15)12-7-16(29-9-12)11-5-13(21)18(27)14(22)6-11/h2-7,9,27H,8H2,1H3,(H,23,28)
InChIKeyMXMDDZTYQVJFIJ-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.55
Rot. Bonds5

About N-[[5-[5-(3,5-difluoro-4-hydroxyphenyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide

N-[[5-[5-(3,5-difluoro-4-hydroxyphenyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide (PubChem CID 162757732) has the molecular formula C20H14F2N4O2S2 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[[5-[5-(3,5-difluoro-4-hydroxyphenyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-[5-(3,5-difluoro-4-hydroxyphenyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide
PubChem CID162757732
Molecular FormulaC20H14F2N4O2S2
Molecular Weight444.49 g/mol
Exact Mass444.05
IUPAC NameN-[[5-[5-(3,5-difluoro-4-hydroxyphenyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide
SMILESCc1nc(CNC(=O)c2cccnn2)sc1-c1csc(-c2cc(F)c(O)c(F)c2)c1
InChIInChI=1S/C20H14F2N4O2S2/c1-10-19(30-17(25-10)8-23-20(28)15-3-2-4-24-26-15)12-7-16(29-9-12)11-5-13(21)18(27)14(22)6-11/h2-7,9,27H,8H2,1H3,(H,23,28)
InChIKeyMXMDDZTYQVJFIJ-UHFFFAOYSA-N
XLogP4.55
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(3,5-difluoro-4-hydroxyphenyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide?
The IUPAC name of N-[[5-[5-(3,5-difluoro-4-hydroxyphenyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide (CID 162757732) is N-[[5-[5-(3,5-difluoro-4-hydroxyphenyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[[5-[5-(3,5-difluoro-4-hydroxyphenyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[[5-[5-(3,5-difluoro-4-hydroxyphenyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide is Cc1nc(CNC(=O)c2cccnn2)sc1-c1csc(-c2cc(F)c(O)c(F)c2)c1.
What is the InChIKey of N-[[5-[5-(3,5-difluoro-4-hydroxyphenyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide?
The InChIKey is MXMDDZTYQVJFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2S2/c1-10-19(30-17(25-10)8-23-20(28)15-3-2-4-24-26-15)12-7-16(29-9-12)11-5-13(21)18(27)14(22)6-11/h2-7,9,27H,8H2,1H3,(H,23,28).
What are the key properties of N-[[5-[5-(3,5-difluoro-4-hydroxyphenyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide?
N-[[5-[5-(3,5-difluoro-4-hydroxyphenyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(3,5-difluoro-4-hydroxyphenyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 162757732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).