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

C10H11ClN2S — CID 2378238

IUPACN-(2-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESClc1ccccc1NC1=NCCCS1
InChIInChI=1S/C10H11ClN2S/c11-8-4-1-2-5-9(8)13-10-12-6-3-7-14-10/h1-2,4-5H,3,6-7H2,(H,12,13)
InChIKeyKZRWKTXNDSCUHN-UHFFFAOYSA-N
MW226.73 g/mol
LogP3.24
Rot. Bonds1

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

N-(2-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 2378238) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID2378238
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC NameN-(2-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESClc1ccccc1NC1=NCCCS1
InChIInChI=1S/C10H11ClN2S/c11-8-4-1-2-5-9(8)13-10-12-6-3-7-14-10/h1-2,4-5H,3,6-7H2,(H,12,13)
InChIKeyKZRWKTXNDSCUHN-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-(2-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 2378238) is N-(2-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Clc1ccccc1NC1=NCCCS1.
What is the InChIKey of N-(2-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is KZRWKTXNDSCUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c11-8-4-1-2-5-9(8)13-10-12-6-3-7-14-10/h1-2,4-5H,3,6-7H2,(H,12,13).
What are the key properties of N-(2-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-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-(2-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 2378238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).