N-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C10H11ClN2S — CID 14391638

IUPACN-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESClc1ccc(NC2=NCCCS2)cc1
InChIInChI=1S/C10H11ClN2S/c11-8-2-4-9(5-3-8)13-10-12-6-1-7-14-10/h2-5H,1,6-7H2,(H,12,13)
InChIKeyQMTVFKPVCGRXJF-UHFFFAOYSA-N
MW226.73 g/mol
LogP3.24
Rot. Bonds1

About N-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 14391638) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID14391638
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC NameN-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESClc1ccc(NC2=NCCCS2)cc1
InChIInChI=1S/C10H11ClN2S/c11-8-2-4-9(5-3-8)13-10-12-6-1-7-14-10/h2-5H,1,6-7H2,(H,12,13)
InChIKeyQMTVFKPVCGRXJF-UHFFFAOYSA-N
XLogP3.24
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 14391638) is N-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Clc1ccc(NC2=NCCCS2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is QMTVFKPVCGRXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c11-8-2-4-9(5-3-8)13-10-12-6-1-7-14-10/h2-5H,1,6-7H2,(H,12,13).
What are the key properties of N-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 226.73 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 14391638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).