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

C10H20N2S — CID 61472592

IUPACN-(2-methylpentan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC(NC1=NCCCS1)C(C)C
InChIInChI=1S/C10H20N2S/c1-4-9(8(2)3)12-10-11-6-5-7-13-10/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyBPTYCEXUDOWBDM-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.50
Rot. Bonds3

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

N-(2-methylpentan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 61472592) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is N-(2-methylpentan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-methylpentan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID61472592
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC NameN-(2-methylpentan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC(NC1=NCCCS1)C(C)C
InChIInChI=1S/C10H20N2S/c1-4-9(8(2)3)12-10-11-6-5-7-13-10/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyBPTYCEXUDOWBDM-UHFFFAOYSA-N
XLogP2.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-methylpentan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 61472592) is N-(2-methylpentan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-methylpentan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-methylpentan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CCC(NC1=NCCCS1)C(C)C.
What is the InChIKey of N-(2-methylpentan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is BPTYCEXUDOWBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-4-9(8(2)3)12-10-11-6-5-7-13-10/h8-9H,4-7H2,1-3H3,(H,11,12).
What are the key properties of N-(2-methylpentan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-methylpentan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 200.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 61472592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).