5-methyl-N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine

C10H20N2S — CID 63003383

IUPAC5-methyl-N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CCCNC1=NCC(C)S1
InChIInChI=1S/C10H20N2S/c1-8(2)5-4-6-11-10-12-7-9(3)13-10/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyRGQLBYONXWDUHR-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.50
Rot. Bonds4

About 5-methyl-N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine

5-methyl-N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63003383) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 5-methyl-N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63003383
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name5-methyl-N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CCCNC1=NCC(C)S1
InChIInChI=1S/C10H20N2S/c1-8(2)5-4-6-11-10-12-7-9(3)13-10/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyRGQLBYONXWDUHR-UHFFFAOYSA-N
XLogP2.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.50
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 5-methyl-N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63003383) is 5-methyl-N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CCCNC1=NCC(C)S1.
What is the InChIKey of 5-methyl-N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RGQLBYONXWDUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-8(2)5-4-6-11-10-12-7-9(3)13-10/h8-9H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 5-methyl-N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-methyl-N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 200.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylpentyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63003383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).