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

C21H20F2N4O2S — CID 71262741

IUPACN-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1OC1CCCCNC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C21H20F2N4O2S/c22-14-5-3-6-15(23)19(14)21-27-17(12-30-21)20(28)26-16-11-25-9-7-18(16)29-13-4-1-2-8-24-10-13/h3,5-7,9,11-13,24H,1-2,4,8,10H2,(H,26,28)
InChIKeyPRSDROARRKZJTC-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.26
Rot. Bonds5

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

N-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 71262741) has the molecular formula C21H20F2N4O2S and a molecular weight of 430.48 g/mol. Its IUPAC name is N-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID71262741
Molecular FormulaC21H20F2N4O2S
Molecular Weight430.48 g/mol
Exact Mass430.13
IUPAC NameN-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1OC1CCCCNC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C21H20F2N4O2S/c22-14-5-3-6-15(23)19(14)21-27-17(12-30-21)20(28)26-16-11-25-9-7-18(16)29-13-4-1-2-8-24-10-13/h3,5-7,9,11-13,24H,1-2,4,8,10H2,(H,26,28)
InChIKeyPRSDROARRKZJTC-UHFFFAOYSA-N
XLogP4.26
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-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 N-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 71262741) is N-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1OC1CCCCNC1)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of N-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PRSDROARRKZJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2S/c22-14-5-3-6-15(23)19(14)21-27-17(12-30-21)20(28)26-16-11-25-9-7-18(16)29-13-4-1-2-8-24-10-13/h3,5-7,9,11-13,24H,1-2,4,8,10H2,(H,26,28).
What are the key properties of N-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
N-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71262741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).