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

C19H13F2N5O2S2 — CID 162757624

IUPACN-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-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)n1
InChIInChI=1S/C19H13F2N5O2S2/c1-9-17(30-15(24-9)7-22-18(28)13-3-2-4-23-26-13)14-8-29-19(25-14)10-5-11(20)16(27)12(21)6-10/h2-6,8,27H,7H2,1H3,(H,22,28)
InChIKeyDRQNRBOPKYNVRP-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.95
Rot. Bonds5

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

N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide (PubChem CID 162757624) has the molecular formula C19H13F2N5O2S2 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide
PubChem CID162757624
Molecular FormulaC19H13F2N5O2S2
Molecular Weight445.48 g/mol
Exact Mass445.05
IUPAC NameN-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-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)n1
InChIInChI=1S/C19H13F2N5O2S2/c1-9-17(30-15(24-9)7-22-18(28)13-3-2-4-23-26-13)14-8-29-19(25-14)10-5-11(20)16(27)12(21)6-10/h2-6,8,27H,7H2,1H3,(H,22,28)
InChIKeyDRQNRBOPKYNVRP-UHFFFAOYSA-N
XLogP3.95
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

US20230348450, Example 151
CID 162757091
US20230348450, Example 171
CID 162757102
4-methyl-2-[1-(4-trifluoromethoxy-benzyl)-1H-pyrazol-3-yl]-thiazole-5-carboxylic acid (pyridin-3-ylmethyl)amide
CID 24951858
5-Fluoro-2-hydroxy-4-[4-[4-methyl-2-[(pyridazine-3-carbonylamino)methyl]-1,3-thiazol-5-yl]thiophen-2-yl]benzoic acid
CID 162757101
N-[[4-methyl-5-[2-(2,3,5-trifluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide
CID 162757473
1-methyl-N-[[4-methyl-5-[2-(2,3,5-trifluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxamide
CID 162757488
2,3,6-Trifluoro-4-[4-[4-methyl-2-[(pyridazin-3-ylamino)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]phenol
CID 162757489
1-methyl-N-[[4-methyl-5-[2-(2,3,5-trifluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]methyl]pyrazole-3-carboxamide
CID 162757506
N-[[4-methyl-5-[6-(2,3,5-trifluoro-4-hydroxyphenyl)-2-pyridinyl]-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide
CID 162757636
N-[[5-[5-(3,5-difluoro-4-hydroxyphenyl)thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide
CID 162757732
N-[[4-methyl-5-[5-(2,3,5-trifluoro-4-hydroxyphenyl)thiophen-3-yl]-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide
CID 162757757
[1-(3-Fluorophenyl)pyrazol-3-yl]-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 56086385

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide?
The IUPAC name of N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide (CID 162757624) is N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-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)n1.
What is the InChIKey of N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide?
The InChIKey is DRQNRBOPKYNVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O2S2/c1-9-17(30-15(24-9)7-22-18(28)13-3-2-4-23-26-13)14-8-29-19(25-14)10-5-11(20)16(27)12(21)6-10/h2-6,8,27H,7H2,1H3,(H,22,28).
What are the key properties of N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide?
N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(3,5-difluoro-4-hydroxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 162757624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).