5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine

C12H18ClN3OS — CID 55127587

IUPAC5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
SMILESCCNc1ccc(Cl)c(CN2CCS(=O)CC2)n1
InChIInChI=1S/C12H18ClN3OS/c1-2-14-12-4-3-10(13)11(15-12)9-16-5-7-18(17)8-6-16/h3-4H,2,5-9H2,1H3,(H,14,15)
InChIKeyXUMDEXNIFCWVQQ-UHFFFAOYSA-N
MW287.82 g/mol
LogP1.73
Rot. Bonds4

About 5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine

5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine (PubChem CID 55127587) has the molecular formula C12H18ClN3OS and a molecular weight of 287.82 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
PubChem CID55127587
Molecular FormulaC12H18ClN3OS
Molecular Weight287.82 g/mol
Exact Mass287.09
IUPAC Name5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
SMILESCCNc1ccc(Cl)c(CN2CCS(=O)CC2)n1
InChIInChI=1S/C12H18ClN3OS/c1-2-14-12-4-3-10(13)11(15-12)9-16-5-7-18(17)8-6-16/h3-4H,2,5-9H2,1H3,(H,14,15)
InChIKeyXUMDEXNIFCWVQQ-UHFFFAOYSA-N
XLogP1.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine 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 5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine (CID 55127587) is 5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine is CCNc1ccc(Cl)c(CN2CCS(=O)CC2)n1.
What is the InChIKey of 5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine?
The InChIKey is XUMDEXNIFCWVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3OS/c1-2-14-12-4-3-10(13)11(15-12)9-16-5-7-18(17)8-6-16/h3-4H,2,5-9H2,1H3,(H,14,15).
What are the key properties of 5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine?
5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine has a molecular weight of 287.82 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 55127587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).