5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazol-2-amine

C17H33N3S — CID 79381144

IUPAC5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCCC(C)CN(C)c1nc(C(C)C)c(CNC(C)(C)C)s1
InChIInChI=1S/C17H33N3S/c1-9-13(4)11-20(8)16-19-15(12(2)3)14(21-16)10-18-17(5,6)7/h12-13,18H,9-11H2,1-8H3
InChIKeyVBVUXQWRCWENAO-UHFFFAOYSA-N
MW311.54 g/mol
LogP4.64
Rot. Bonds7

About 5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazol-2-amine

5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 79381144) has the molecular formula C17H33N3S and a molecular weight of 311.54 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID79381144
Molecular FormulaC17H33N3S
Molecular Weight311.54 g/mol
Exact Mass311.24
IUPAC Name5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCCC(C)CN(C)c1nc(C(C)C)c(CNC(C)(C)C)s1
InChIInChI=1S/C17H33N3S/c1-9-13(4)11-20(8)16-19-15(12(2)3)14(21-16)10-18-17(5,6)7/h12-13,18H,9-11H2,1-8H3
InChIKeyVBVUXQWRCWENAO-UHFFFAOYSA-N
XLogP4.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-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-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazol-2-amine (CID 79381144) is 5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazol-2-amine is CCC(C)CN(C)c1nc(C(C)C)c(CNC(C)(C)C)s1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is VBVUXQWRCWENAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3S/c1-9-13(4)11-20(8)16-19-15(12(2)3)14(21-16)10-18-17(5,6)7/h12-13,18H,9-11H2,1-8H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 311.54 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-methyl-N-(2-methylbutyl)-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79381144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).