1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol

C11H20N2OS — CID 112645209

IUPAC1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESCC(O)(CNC(C)(C)C)Cc1cncs1
InChIInChI=1S/C11H20N2OS/c1-10(2,3)13-7-11(4,14)5-9-6-12-8-15-9/h6,8,13-14H,5,7H2,1-4H3
InChIKeyYXMCYXJGBRGWPI-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.82
Rot. Bonds4

About 1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol

1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol (PubChem CID 112645209) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol
PubChem CID112645209
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESCC(O)(CNC(C)(C)C)Cc1cncs1
InChIInChI=1S/C11H20N2OS/c1-10(2,3)13-7-11(4,14)5-9-6-12-8-15-9/h6,8,13-14H,5,7H2,1-4H3
InChIKeyYXMCYXJGBRGWPI-UHFFFAOYSA-N
XLogP1.82
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol 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

N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644065
2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112641801
2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol
CID 65108079
1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642005
1-(tert-butylamino)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 66038221
2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644062
3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol
CID 115866557
N-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 112644277
2-ethyl-2-(1,3-thiazol-5-ylmethyl)propane-1,3-diol
CID 112645394
2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112640397
5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106965416
4-[2-hydroxy-1-(1,3-thiazol-5-yl)propan-2-yl]benzonitrile
CID 112642079

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol (CID 112645209) is 1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol is CC(O)(CNC(C)(C)C)Cc1cncs1.
What is the InChIKey of 1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is YXMCYXJGBRGWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-10(2,3)13-7-11(4,14)5-9-6-12-8-15-9/h6,8,13-14H,5,7H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol?
1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol has a molecular weight of 228.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 112645209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).