2-pentyl-1,3-thiazol-4-amine

C8H14N2S — CID 66749642

IUPAC2-pentyl-1,3-thiazol-4-amine
SMILESCCCCCc1nc(N)cs1
InChIInChI=1S/C8H14N2S/c1-2-3-4-5-8-10-7(9)6-11-8/h6H,2-5,9H2,1H3
InChIKeyUQFDCTHQABNNLT-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.46
Rot. Bonds4

About 2-pentyl-1,3-thiazol-4-amine

2-pentyl-1,3-thiazol-4-amine (PubChem CID 66749642) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-pentyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-pentyl-1,3-thiazol-4-amine
PubChem CID66749642
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name2-pentyl-1,3-thiazol-4-amine
SMILESCCCCCc1nc(N)cs1
InChIInChI=1S/C8H14N2S/c1-2-3-4-5-8-10-7(9)6-11-8/h6H,2-5,9H2,1H3
InChIKeyUQFDCTHQABNNLT-UHFFFAOYSA-N
XLogP2.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.46
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 2-pentyl-1,3-thiazol-4-amine?
The IUPAC name of 2-pentyl-1,3-thiazol-4-amine (CID 66749642) is 2-pentyl-1,3-thiazol-4-amine.
What is the SMILES notation for 2-pentyl-1,3-thiazol-4-amine?
The canonical SMILES for 2-pentyl-1,3-thiazol-4-amine is CCCCCc1nc(N)cs1.
What is the InChIKey of 2-pentyl-1,3-thiazol-4-amine?
The InChIKey is UQFDCTHQABNNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-2-3-4-5-8-10-7(9)6-11-8/h6H,2-5,9H2,1H3.
What are the key properties of 2-pentyl-1,3-thiazol-4-amine?
2-pentyl-1,3-thiazol-4-amine has a molecular weight of 170.28 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1,3-thiazol-4-amine is sourced from PubChem (CID 66749642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).