1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine

C11H20N2OS — CID 79820516

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
SMILESCOCC(N)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C11H20N2OS/c1-11(2,3)9-7-15-10(13-9)5-8(12)6-14-4/h7-8H,5-6,12H2,1-4H3
InChIKeyFGFHCOONZZFLMG-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.96
Rot. Bonds4

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine (PubChem CID 79820516) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
PubChem CID79820516
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
SMILESCOCC(N)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C11H20N2OS/c1-11(2,3)9-7-15-10(13-9)5-8(12)6-14-4/h7-8H,5-6,12H2,1-4H3
InChIKeyFGFHCOONZZFLMG-UHFFFAOYSA-N
XLogP1.96
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-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

Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-amine
CID 79819973
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79820663
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine
CID 105169535
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-2-amine
CID 79820562
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 79819506
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-2-amine
CID 79820432
5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79817319
methyl 2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylbutanoate
CID 79816963
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312170
[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105214128
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethyl-3-methoxypentan-2-ol
CID 116752722
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propan-2-amine
CID 79820438

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine (CID 79820516) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine is COCC(N)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine?
The InChIKey is FGFHCOONZZFLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-11(2,3)9-7-15-10(13-9)5-8(12)6-14-4/h7-8H,5-6,12H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine has a molecular weight of 228.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine is sourced from PubChem (CID 79820516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).