N-pentyl-1,3-thiazol-2-amine

C8H14N2S — CID 28549710

IUPACN-pentyl-1,3-thiazol-2-amine
SMILESCCCCCNc1nccs1
InChIInChI=1S/C8H14N2S/c1-2-3-4-5-9-8-10-6-7-11-8/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyLDQYIGVXLVRFPZ-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.75
Rot. Bonds5

About N-pentyl-1,3-thiazol-2-amine

N-pentyl-1,3-thiazol-2-amine (PubChem CID 28549710) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is N-pentyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-pentyl-1,3-thiazol-2-amine
PubChem CID28549710
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC NameN-pentyl-1,3-thiazol-2-amine
SMILESCCCCCNc1nccs1
InChIInChI=1S/C8H14N2S/c1-2-3-4-5-9-8-10-6-7-11-8/h6-7H,2-5H2,1H3,(H,9,10)
InChIKeyLDQYIGVXLVRFPZ-UHFFFAOYSA-N
XLogP2.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-pentyl-1,3-thiazol-2-amine?
The IUPAC name of N-pentyl-1,3-thiazol-2-amine (CID 28549710) is N-pentyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-pentyl-1,3-thiazol-2-amine?
The canonical SMILES for N-pentyl-1,3-thiazol-2-amine is CCCCCNc1nccs1.
What is the InChIKey of N-pentyl-1,3-thiazol-2-amine?
The InChIKey is LDQYIGVXLVRFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-2-3-4-5-9-8-10-6-7-11-8/h6-7H,2-5H2,1H3,(H,9,10).
What are the key properties of N-pentyl-1,3-thiazol-2-amine?
N-pentyl-1,3-thiazol-2-amine has a molecular weight of 170.28 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1,3-thiazol-2-amine is sourced from PubChem (CID 28549710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).