N-(4-methylpentyl)-1,3-thiazol-2-amine

C9H16N2S — CID 60754507

IUPACN-(4-methylpentyl)-1,3-thiazol-2-amine
SMILESCC(C)CCCNc1nccs1
InChIInChI=1S/C9H16N2S/c1-8(2)4-3-5-10-9-11-6-7-12-9/h6-8H,3-5H2,1-2H3,(H,10,11)
InChIKeyBAXWGRNDYVBIGF-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.99
Rot. Bonds5

About N-(4-methylpentyl)-1,3-thiazol-2-amine

N-(4-methylpentyl)-1,3-thiazol-2-amine (PubChem CID 60754507) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N-(4-methylpentyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylpentyl)-1,3-thiazol-2-amine
PubChem CID60754507
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN-(4-methylpentyl)-1,3-thiazol-2-amine
SMILESCC(C)CCCNc1nccs1
InChIInChI=1S/C9H16N2S/c1-8(2)4-3-5-10-9-11-6-7-12-9/h6-8H,3-5H2,1-2H3,(H,10,11)
InChIKeyBAXWGRNDYVBIGF-UHFFFAOYSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.99
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-(4-methylpentyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methylpentyl)-1,3-thiazol-2-amine (CID 60754507) is N-(4-methylpentyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methylpentyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methylpentyl)-1,3-thiazol-2-amine is CC(C)CCCNc1nccs1.
What is the InChIKey of N-(4-methylpentyl)-1,3-thiazol-2-amine?
The InChIKey is BAXWGRNDYVBIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-8(2)4-3-5-10-9-11-6-7-12-9/h6-8H,3-5H2,1-2H3,(H,10,11).
What are the key properties of N-(4-methylpentyl)-1,3-thiazol-2-amine?
N-(4-methylpentyl)-1,3-thiazol-2-amine has a molecular weight of 184.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 60754507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).