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

C11H22N2S — CID 3705369

IUPACN-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(C)CCCCNC1=NCCS1
InChIInChI=1S/C11H22N2S/c1-3-10(2)6-4-5-7-12-11-13-8-9-14-11/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyUSSUVJMMDUZVBR-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.90
Rot. Bonds6

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

N-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 3705369) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID3705369
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(C)CCCCNC1=NCCS1
InChIInChI=1S/C11H22N2S/c1-3-10(2)6-4-5-7-12-11-13-8-9-14-11/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyUSSUVJMMDUZVBR-UHFFFAOYSA-N
XLogP2.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 3705369) is N-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine is CCC(C)CCCCNC1=NCCS1.
What is the InChIKey of N-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is USSUVJMMDUZVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-3-10(2)6-4-5-7-12-11-13-8-9-14-11/h10H,3-9H2,1-2H3,(H,12,13).
What are the key properties of N-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 214.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 3705369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).