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

C11H13ClN2S — CID 2384564

IUPACN-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1ccc(NC2=NCCCS2)cc1Cl
InChIInChI=1S/C11H13ClN2S/c1-8-3-4-9(7-10(8)12)14-11-13-5-2-6-15-11/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyNGTRUJXCTVJOGS-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.55
Rot. Bonds1

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

N-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 2384564) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID2384564
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC NameN-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1ccc(NC2=NCCCS2)cc1Cl
InChIInChI=1S/C11H13ClN2S/c1-8-3-4-9(7-10(8)12)14-11-13-5-2-6-15-11/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyNGTRUJXCTVJOGS-UHFFFAOYSA-N
XLogP3.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 2384564) is N-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1ccc(NC2=NCCCS2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is NGTRUJXCTVJOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c1-8-3-4-9(7-10(8)12)14-11-13-5-2-6-15-11/h3-4,7H,2,5-6H2,1H3,(H,13,14).
What are the key properties of N-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 240.76 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 2384564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).