N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

C8H16N2S — CID 29068053

IUPACN-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)NC1=NCCS1
InChIInChI=1S/C8H16N2S/c1-3-7(4-2)10-8-9-5-6-11-8/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyRUHWMIUMRNBNFX-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.87
Rot. Bonds3

About N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 29068053) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID29068053
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC NameN-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)NC1=NCCS1
InChIInChI=1S/C8H16N2S/c1-3-7(4-2)10-8-9-5-6-11-8/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyRUHWMIUMRNBNFX-UHFFFAOYSA-N
XLogP1.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 29068053) is N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)NC1=NCCS1.
What is the InChIKey of N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RUHWMIUMRNBNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-3-7(4-2)10-8-9-5-6-11-8/h7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 172.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 29068053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).