N-pentan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

C9H18N2S — CID 43148934

IUPACN-pentan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCCC(C)NC1=NCCCS1
InChIInChI=1S/C9H18N2S/c1-3-5-8(2)11-9-10-6-4-7-12-9/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyMOLARTUSLRNSDC-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.26
Rot. Bonds3

About N-pentan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-pentan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 43148934) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N-pentan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-pentan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID43148934
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN-pentan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCCC(C)NC1=NCCCS1
InChIInChI=1S/C9H18N2S/c1-3-5-8(2)11-9-10-6-4-7-12-9/h8H,3-7H2,1-2H3,(H,10,11)
InChIKeyMOLARTUSLRNSDC-UHFFFAOYSA-N
XLogP2.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-pentan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 43148934) is N-pentan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-pentan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-pentan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is CCCC(C)NC1=NCCCS1.
What is the InChIKey of N-pentan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is MOLARTUSLRNSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-3-5-8(2)11-9-10-6-4-7-12-9/h8H,3-7H2,1-2H3,(H,10,11).
What are the key properties of N-pentan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-pentan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 186.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 43148934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).