5-(2,2-dimethylpropyl)-N-(3-methyl-2-propan-2-ylbutyl)-4,5-dihydro-1,3-thiazol-2-amine

C16H32N2S — CID 107154862

IUPAC5-(2,2-dimethylpropyl)-N-(3-methyl-2-propan-2-ylbutyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C(CNC1=NCC(CC(C)(C)C)S1)C(C)C
InChIInChI=1S/C16H32N2S/c1-11(2)14(12(3)4)10-18-15-17-9-13(19-15)8-16(5,6)7/h11-14H,8-10H2,1-7H3,(H,17,18)
InChIKeyBACHVSYYKCVCKM-UHFFFAOYSA-N
MW284.51 g/mol
LogP4.41
Rot. Bonds5

About 5-(2,2-dimethylpropyl)-N-(3-methyl-2-propan-2-ylbutyl)-4,5-dihydro-1,3-thiazol-2-amine

5-(2,2-dimethylpropyl)-N-(3-methyl-2-propan-2-ylbutyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107154862) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-(3-methyl-2-propan-2-ylbutyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-(3-methyl-2-propan-2-ylbutyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107154862
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC Name5-(2,2-dimethylpropyl)-N-(3-methyl-2-propan-2-ylbutyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C(CNC1=NCC(CC(C)(C)C)S1)C(C)C
InChIInChI=1S/C16H32N2S/c1-11(2)14(12(3)4)10-18-15-17-9-13(19-15)8-16(5,6)7/h11-14H,8-10H2,1-7H3,(H,17,18)
InChIKeyBACHVSYYKCVCKM-UHFFFAOYSA-N
XLogP4.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2,2-dimethylpropyl)-N-(3-methyl-2-propan-2-ylbutyl)-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 5-(2,2-dimethylpropyl)-N-(3-methyl-2-propan-2-ylbutyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-(3-methyl-2-propan-2-ylbutyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 107154862) is 5-(2,2-dimethylpropyl)-N-(3-methyl-2-propan-2-ylbutyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-(3-methyl-2-propan-2-ylbutyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-(3-methyl-2-propan-2-ylbutyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)C(CNC1=NCC(CC(C)(C)C)S1)C(C)C.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-(3-methyl-2-propan-2-ylbutyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BACHVSYYKCVCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2S/c1-11(2)14(12(3)4)10-18-15-17-9-13(19-15)8-16(5,6)7/h11-14H,8-10H2,1-7H3,(H,17,18).
What are the key properties of 5-(2,2-dimethylpropyl)-N-(3-methyl-2-propan-2-ylbutyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-(3-methyl-2-propan-2-ylbutyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 284.51 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-(3-methyl-2-propan-2-ylbutyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107154862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).