4-(2-methylpropyl)-N-octan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C15H30N2S — CID 54959152

IUPAC4-(2-methylpropyl)-N-octan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCCCC(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C15H30N2S/c1-5-6-7-8-9-13(4)16-15-17-14(11-18-15)10-12(2)3/h12-14H,5-11H2,1-4H3,(H,16,17)
InChIKeyVDXHCOYUOHOVKX-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.45
Rot. Bonds8

About 4-(2-methylpropyl)-N-octan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

4-(2-methylpropyl)-N-octan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 54959152) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-octan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-octan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID54959152
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name4-(2-methylpropyl)-N-octan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCCCC(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C15H30N2S/c1-5-6-7-8-9-13(4)16-15-17-14(11-18-15)10-12(2)3/h12-14H,5-11H2,1-4H3,(H,16,17)
InChIKeyVDXHCOYUOHOVKX-UHFFFAOYSA-N
XLogP4.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.45
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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Related Compounds

N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3792463
N-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3705369
N-(2-methylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 5018374
2-Thiazoline, 2-((cyclohexylmethyl)amino)-
CID 3055296
5-methyl-N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2999911
2-(Dicyclopropylmethylamino) thiazoline
CID 54440978
N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 54087907
5-(2-methylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943240
4-(2-methylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114131552
5-pentan-3-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 114168440
4-(2-methylpropyl)-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine
CID 136952806
N-octan-3-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 6493402

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-octan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methylpropyl)-N-octan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 54959152) is 4-(2-methylpropyl)-N-octan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methylpropyl)-N-octan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methylpropyl)-N-octan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CCCCCCC(C)NC1=NC(CC(C)C)CS1.
What is the InChIKey of 4-(2-methylpropyl)-N-octan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is VDXHCOYUOHOVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-5-6-7-8-9-13(4)16-15-17-14(11-18-15)10-12(2)3/h12-14H,5-11H2,1-4H3,(H,16,17).
What are the key properties of 4-(2-methylpropyl)-N-octan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
4-(2-methylpropyl)-N-octan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 270.49 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-octan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 54959152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).