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

C8H16N2S — CID 17338711

IUPACN-butan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC(C)NC1=NCCCS1
InChIInChI=1S/C8H16N2S/c1-3-7(2)10-8-9-5-4-6-11-8/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyFIPKLKIAKHDQAL-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.87
Rot. Bonds2

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

N-butan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 17338711) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is N-butan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID17338711
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC NameN-butan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCC(C)NC1=NCCCS1
InChIInChI=1S/C8H16N2S/c1-3-7(2)10-8-9-5-4-6-11-8/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyFIPKLKIAKHDQAL-UHFFFAOYSA-N
XLogP1.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-butan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 17338711) is N-butan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-butan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-butan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is CCC(C)NC1=NCCCS1.
What is the InChIKey of N-butan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is FIPKLKIAKHDQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-3-7(2)10-8-9-5-4-6-11-8/h7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of N-butan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-butan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 172.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 17338711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).