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

C10H20N2S — CID 162494619

IUPACN-(4,4-dimethylpentyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CCCNC1=NCCS1
InChIInChI=1S/C10H20N2S/c1-10(2,3)5-4-6-11-9-12-7-8-13-9/h4-8H2,1-3H3,(H,11,12)
InChIKeyMBQVMPNAGJETCL-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.51
Rot. Bonds3

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

N-(4,4-dimethylpentyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 162494619) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID162494619
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC NameN-(4,4-dimethylpentyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CCCNC1=NCCS1
InChIInChI=1S/C10H20N2S/c1-10(2,3)5-4-6-11-9-12-7-8-13-9/h4-8H2,1-3H3,(H,11,12)
InChIKeyMBQVMPNAGJETCL-UHFFFAOYSA-N
XLogP2.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.51
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-hexyl-4,5-dihydro-1,3-thiazol-2-amine
CID 4236807
N-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3705369
5-(2,2-dimethylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943219
5-(2,2-dimethylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106294893
5-(2,2-dimethylpropyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106431781
5-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153828
5-(2-methylpropyl)-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154375
N-(2,2-difluoroethyl)-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154630
5-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154632
5-(2,2-dimethylpropyl)-N-(5,5,5-trifluoropentyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107154633
5-(2,2-dimethylpropyl)-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 113924080
5-(2,2-dimethylpropyl)-N-(4,4,4-trifluorobutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 113924133

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4,4-dimethylpentyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 162494619) is N-(4,4-dimethylpentyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4,4-dimethylpentyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4,4-dimethylpentyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)(C)CCCNC1=NCCS1.
What is the InChIKey of N-(4,4-dimethylpentyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is MBQVMPNAGJETCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-10(2,3)5-4-6-11-9-12-7-8-13-9/h4-8H2,1-3H3,(H,11,12).
What are the key properties of N-(4,4-dimethylpentyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(4,4-dimethylpentyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 200.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 162494619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).