2-(2,6-difluorophenyl)-N-[5-(4-hydroxypentoxy)-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide

C18H17F2N3O3S2 — CID 71261802

IUPAC2-(2,6-difluorophenyl)-N-[5-(4-hydroxypentoxy)-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC(O)CCCOc1sncc1NC(=O)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C18H17F2N3O3S2/c1-10(24)4-3-7-26-18-13(8-21-28-18)22-16(25)14-9-27-17(23-14)15-11(19)5-2-6-12(15)20/h2,5-6,8-10,24H,3-4,7H2,1H3,(H,22,25)
InChIKeyVJRPSGBUFGNPFZ-UHFFFAOYSA-N
MW425.48 g/mol
LogP4.34
Rot. Bonds8

About 2-(2,6-difluorophenyl)-N-[5-(4-hydroxypentoxy)-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide

2-(2,6-difluorophenyl)-N-[5-(4-hydroxypentoxy)-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 71261802) has the molecular formula C18H17F2N3O3S2 and a molecular weight of 425.48 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[5-(4-hydroxypentoxy)-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[5-(4-hydroxypentoxy)-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID71261802
Molecular FormulaC18H17F2N3O3S2
Molecular Weight425.48 g/mol
Exact Mass425.07
IUPAC Name2-(2,6-difluorophenyl)-N-[5-(4-hydroxypentoxy)-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC(O)CCCOc1sncc1NC(=O)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C18H17F2N3O3S2/c1-10(24)4-3-7-26-18-13(8-21-28-18)22-16(25)14-9-27-17(23-14)15-11(19)5-2-6-12(15)20/h2,5-6,8-10,24H,3-4,7H2,1H3,(H,22,25)
InChIKeyVJRPSGBUFGNPFZ-UHFFFAOYSA-N
XLogP4.34
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-difluorophenyl)-N-[5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide
CID 71261832
N-[5-(3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 152845077
5-amino-2-(2,6-difluorophenyl)-N-[4-(4-hydroxypentoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide
CID 71261535
2-(2,6-difluorophenyl)-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 90286724
2-(2,6-difluorophenyl)-N-[5-[3-(hydroxymethyl)morpholin-4-yl]-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide
CID 78056493
N-(3,5-difluoro-4-methoxyphenyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 167959605
2-(2,6-difluorophenyl)-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 90286701
N-[5-(1-amino-3-chloropropan-2-yl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride
CID 126744062
N-[5-(azetidin-3-ylmethoxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 118413386
N-(1-amino-2-methylpropan-2-yl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 119522621
2-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-hydroxycyclopentyl]oxypyrimidin-5-yl]-1,3-thiazole-4-carboxamide
CID 71261555
2-(2,6-difluorophenyl)-N-[4-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 143858623

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[5-(4-hydroxypentoxy)-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[5-(4-hydroxypentoxy)-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide (CID 71261802) is 2-(2,6-difluorophenyl)-N-[5-(4-hydroxypentoxy)-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[5-(4-hydroxypentoxy)-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[5-(4-hydroxypentoxy)-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide is CC(O)CCCOc1sncc1NC(=O)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[5-(4-hydroxypentoxy)-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is VJRPSGBUFGNPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3S2/c1-10(24)4-3-7-26-18-13(8-21-28-18)22-16(25)14-9-27-17(23-14)15-11(19)5-2-6-12(15)20/h2,5-6,8-10,24H,3-4,7H2,1H3,(H,22,25).
What are the key properties of 2-(2,6-difluorophenyl)-N-[5-(4-hydroxypentoxy)-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-[5-(4-hydroxypentoxy)-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 425.48 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[5-(4-hydroxypentoxy)-1,2-thiazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71261802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).