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

C9H18N2S — CID 43439514

IUPAC4-methyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(NC(C)C(C)C)=N1
InChIInChI=1S/C9H18N2S/c1-6(2)8(4)11-9-10-7(3)5-12-9/h6-8H,5H2,1-4H3,(H,10,11)
InChIKeyBFVIGIWGNWLDID-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.11
Rot. Bonds2

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

4-methyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43439514) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 4-methyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43439514
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name4-methyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CSC(NC(C)C(C)C)=N1
InChIInChI=1S/C9H18N2S/c1-6(2)8(4)11-9-10-7(3)5-12-9/h6-8H,5H2,1-4H3,(H,10,11)
InChIKeyBFVIGIWGNWLDID-UHFFFAOYSA-N
XLogP2.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 4-methyl-N-(3-methylbutan-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 4-methyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 43439514) is 4-methyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is CC1CSC(NC(C)C(C)C)=N1.
What is the InChIKey of 4-methyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BFVIGIWGNWLDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-6(2)8(4)11-9-10-7(3)5-12-9/h6-8H,5H2,1-4H3,(H,10,11).
What are the key properties of 4-methyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
4-methyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 186.32 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43439514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).