N-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C12H24N2S — CID 107153761

IUPACN-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCNC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C12H24N2S/c1-5-6-7-13-11-14-9-10(15-11)8-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyFCGSKKJYMQVKHP-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.28
Rot. Bonds4

About N-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107153761) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107153761
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCNC1=NCC(CC(C)(C)C)S1
InChIInChI=1S/C12H24N2S/c1-5-6-7-13-11-14-9-10(15-11)8-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyFCGSKKJYMQVKHP-UHFFFAOYSA-N
XLogP3.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.28
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-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107153761) is N-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CCCCNC1=NCC(CC(C)(C)C)S1.
What is the InChIKey of N-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FCGSKKJYMQVKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-5-6-7-13-11-14-9-10(15-11)8-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,14).
What are the key properties of N-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 228.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107153761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).