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

C10H10Cl2N2S — CID 3863745

IUPACN-(3,4-dichlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESClc1ccc(NC2=NCCCS2)cc1Cl
InChIInChI=1S/C10H10Cl2N2S/c11-8-3-2-7(6-9(8)12)14-10-13-4-1-5-15-10/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyCXSKSYHKTWRGRM-UHFFFAOYSA-N
MW261.18 g/mol
LogP3.90
Rot. Bonds1

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

N-(3,4-dichlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 3863745) has the molecular formula C10H10Cl2N2S and a molecular weight of 261.18 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID3863745
Molecular FormulaC10H10Cl2N2S
Molecular Weight261.18 g/mol
Exact Mass259.99
IUPAC NameN-(3,4-dichlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESClc1ccc(NC2=NCCCS2)cc1Cl
InChIInChI=1S/C10H10Cl2N2S/c11-8-3-2-7(6-9(8)12)14-10-13-4-1-5-15-10/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyCXSKSYHKTWRGRM-UHFFFAOYSA-N
XLogP3.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 3863745) is N-(3,4-dichlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Clc1ccc(NC2=NCCCS2)cc1Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is CXSKSYHKTWRGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2S/c11-8-3-2-7(6-9(8)12)14-10-13-4-1-5-15-10/h2-3,6H,1,4-5H2,(H,13,14).
What are the key properties of N-(3,4-dichlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(3,4-dichlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 261.18 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 3863745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).