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

C9H16N2S — CID 17338722

IUPACN-cyclopentyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESC1CN=C(NC2CCCC2)SC1
InChIInChI=1S/C9H16N2S/c1-2-5-8(4-1)11-9-10-6-3-7-12-9/h8H,1-7H2,(H,10,11)
InChIKeyGXJAMDHOAOKPBN-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.01
Rot. Bonds1

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

N-cyclopentyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 17338722) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N-cyclopentyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID17338722
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN-cyclopentyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESC1CN=C(NC2CCCC2)SC1
InChIInChI=1S/C9H16N2S/c1-2-5-8(4-1)11-9-10-6-3-7-12-9/h8H,1-7H2,(H,10,11)
InChIKeyGXJAMDHOAOKPBN-UHFFFAOYSA-N
XLogP2.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-cyclopentyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 17338722) is N-cyclopentyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-cyclopentyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-cyclopentyl-5,6-dihydro-4H-1,3-thiazin-2-amine is C1CN=C(NC2CCCC2)SC1.
What is the InChIKey of N-cyclopentyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is GXJAMDHOAOKPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-2-5-8(4-1)11-9-10-6-3-7-12-9/h8H,1-7H2,(H,10,11).
What are the key properties of N-cyclopentyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-cyclopentyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 184.31 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 17338722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).