2-(2,6-difluorophenyl)-N-[4-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide

C21H19F2N3O3S — CID 71262574

IUPAC2-(2,6-difluorophenyl)-N-[4-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1OC1CCC(O)CC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C21H19F2N3O3S/c22-14-2-1-3-15(23)19(14)21-26-17(11-30-21)20(28)25-16-10-24-9-8-18(16)29-13-6-4-12(27)5-7-13/h1-3,8-13,27H,4-7H2,(H,25,28)
InChIKeyMQUXRVLSWBLTHR-UHFFFAOYSA-N
MW431.46 g/mol
LogP4.42
Rot. Bonds5

About 2-(2,6-difluorophenyl)-N-[4-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide

2-(2,6-difluorophenyl)-N-[4-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 71262574) has the molecular formula C21H19F2N3O3S and a molecular weight of 431.46 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[4-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[4-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID71262574
Molecular FormulaC21H19F2N3O3S
Molecular Weight431.46 g/mol
Exact Mass431.11
IUPAC Name2-(2,6-difluorophenyl)-N-[4-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1OC1CCC(O)CC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C21H19F2N3O3S/c22-14-2-1-3-15(23)19(14)21-26-17(11-30-21)20(28)25-16-10-24-9-8-18(16)29-13-6-4-12(27)5-7-13/h1-3,8-13,27H,4-7H2,(H,25,28)
InChIKeyMQUXRVLSWBLTHR-UHFFFAOYSA-N
XLogP4.42
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,6-difluorophenyl)-N-[4-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[4-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[4-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 71262574) is 2-(2,6-difluorophenyl)-N-[4-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[4-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[4-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1OC1CCC(O)CC1)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[4-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MQUXRVLSWBLTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3S/c22-14-2-1-3-15(23)19(14)21-26-17(11-30-21)20(28)25-16-10-24-9-8-18(16)29-13-6-4-12(27)5-7-13/h1-3,8-13,27H,4-7H2,(H,25,28).
What are the key properties of 2-(2,6-difluorophenyl)-N-[4-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-[4-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[4-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71262574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).