N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C16H16ClFN2OS — CID 17338485

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFc1cccc(Cl)c1CN(Cc1ccco1)C1=NCCCS1
InChIInChI=1S/C16H16ClFN2OS/c17-14-5-1-6-15(18)13(14)11-20(10-12-4-2-8-21-12)16-19-7-3-9-22-16/h1-2,4-6,8H,3,7,9-11H2
InChIKeyUMZGOHMPVDINFS-UHFFFAOYSA-N
MW338.83 g/mol
LogP4.57
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 17338485) has the molecular formula C16H16ClFN2OS and a molecular weight of 338.83 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID17338485
Molecular FormulaC16H16ClFN2OS
Molecular Weight338.83 g/mol
Exact Mass338.07
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESFc1cccc(Cl)c1CN(Cc1ccco1)C1=NCCCS1
InChIInChI=1S/C16H16ClFN2OS/c17-14-5-1-6-15(18)13(14)11-20(10-12-4-2-8-21-12)16-19-7-3-9-22-16/h1-2,4-6,8H,3,7,9-11H2
InChIKeyUMZGOHMPVDINFS-UHFFFAOYSA-N
XLogP4.57
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.83
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-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 N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 17338485) is N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Fc1cccc(Cl)c1CN(Cc1ccco1)C1=NCCCS1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is UMZGOHMPVDINFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2OS/c17-14-5-1-6-15(18)13(14)11-20(10-12-4-2-8-21-12)16-19-7-3-9-22-16/h1-2,4-6,8H,3,7,9-11H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 338.83 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 17338485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).