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

C9H18N2S — CID 43372389

IUPACN-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC(C)NC1=NCCS1
InChIInChI=1S/C9H18N2S/c1-7(2)6-8(3)11-9-10-4-5-12-9/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyPICKZBBFEJZVGM-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.11
Rot. Bonds3

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

N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43372389) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43372389
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC NameN-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC(C)NC1=NCCS1
InChIInChI=1S/C9H18N2S/c1-7(2)6-8(3)11-9-10-4-5-12-9/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyPICKZBBFEJZVGM-UHFFFAOYSA-N
XLogP2.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methylpentan-2-yl)-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-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 43372389) is N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC(C)NC1=NCCS1.
What is the InChIKey of N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is PICKZBBFEJZVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-7(2)6-8(3)11-9-10-4-5-12-9/h7-8H,4-6H2,1-3H3,(H,10,11).
What are the key properties of N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 186.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43372389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).