N-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinan-1-ylidene]-2-methoxybenzamide

C18H17ClF3N3O2S — CID 2821306

IUPACN-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinan-1-ylidene]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N=S1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C18H17ClF3N3O2S/c1-27-15-5-3-2-4-13(15)17(26)24-28-8-6-25(7-9-28)16-14(19)10-12(11-23-16)18(20,21)22/h2-5,10-11H,6-9H2,1H3
InChIKeyUCQAFAQQEPNZFE-UHFFFAOYSA-N
MW431.87 g/mol
LogP4.22
Rot. Bonds3

About N-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinan-1-ylidene]-2-methoxybenzamide

N-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinan-1-ylidene]-2-methoxybenzamide (PubChem CID 2821306) has the molecular formula C18H17ClF3N3O2S and a molecular weight of 431.87 g/mol. Its IUPAC name is N-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinan-1-ylidene]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinan-1-ylidene]-2-methoxybenzamide
PubChem CID2821306
Molecular FormulaC18H17ClF3N3O2S
Molecular Weight431.87 g/mol
Exact Mass431.07
IUPAC NameN-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinan-1-ylidene]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N=S1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C18H17ClF3N3O2S/c1-27-15-5-3-2-4-13(15)17(26)24-28-8-6-25(7-9-28)16-14(19)10-12(11-23-16)18(20,21)22/h2-5,10-11H,6-9H2,1H3
InChIKeyUCQAFAQQEPNZFE-UHFFFAOYSA-N
XLogP4.22
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.87
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinan-1-ylidene]-2-methoxybenzamide 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-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinan-1-ylidene]-2-methoxybenzamide?
The IUPAC name of N-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinan-1-ylidene]-2-methoxybenzamide (CID 2821306) is N-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinan-1-ylidene]-2-methoxybenzamide.
What is the SMILES notation for N-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinan-1-ylidene]-2-methoxybenzamide?
The canonical SMILES for N-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinan-1-ylidene]-2-methoxybenzamide is COc1ccccc1C(=O)N=S1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of N-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinan-1-ylidene]-2-methoxybenzamide?
The InChIKey is UCQAFAQQEPNZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O2S/c1-27-15-5-3-2-4-13(15)17(26)24-28-8-6-25(7-9-28)16-14(19)10-12(11-23-16)18(20,21)22/h2-5,10-11H,6-9H2,1H3.
What are the key properties of N-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinan-1-ylidene]-2-methoxybenzamide?
N-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinan-1-ylidene]-2-methoxybenzamide has a molecular weight of 431.87 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinan-1-ylidene]-2-methoxybenzamide is sourced from PubChem (CID 2821306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).