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

C14H28N2S — CID 54950388

IUPACN-heptan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCCC(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C14H28N2S/c1-5-6-7-8-12(4)15-14-16-13(10-17-14)9-11(2)3/h11-13H,5-10H2,1-4H3,(H,15,16)
InChIKeyIZLTZCBBYGKSTN-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.06
Rot. Bonds7

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

N-heptan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 54950388) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is N-heptan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-heptan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID54950388
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC NameN-heptan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCCC(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C14H28N2S/c1-5-6-7-8-12(4)15-14-16-13(10-17-14)9-11(2)3/h11-13H,5-10H2,1-4H3,(H,15,16)
InChIKeyIZLTZCBBYGKSTN-UHFFFAOYSA-N
XLogP4.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.06
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-heptan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-heptan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 54950388) is N-heptan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-heptan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-heptan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CCCCCC(C)NC1=NC(CC(C)C)CS1.
What is the InChIKey of N-heptan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is IZLTZCBBYGKSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-5-6-7-8-12(4)15-14-16-13(10-17-14)9-11(2)3/h11-13H,5-10H2,1-4H3,(H,15,16).
What are the key properties of N-heptan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-heptan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 256.46 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 54950388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).