4-(tert-butylamino)-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol

C12H22N2OS — CID 79820463

IUPAC4-(tert-butylamino)-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
SMILESCC(O)(CCNC(C)(C)C)Cc1nccs1
InChIInChI=1S/C12H22N2OS/c1-11(2,3)14-6-5-12(4,15)9-10-13-7-8-16-10/h7-8,14-15H,5-6,9H2,1-4H3
InChIKeySCYPTIJORWWBOJ-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.21
Rot. Bonds5

About 4-(tert-butylamino)-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol

4-(tert-butylamino)-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol (PubChem CID 79820463) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-(tert-butylamino)-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
PubChem CID79820463
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name4-(tert-butylamino)-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
SMILESCC(O)(CCNC(C)(C)C)Cc1nccs1
InChIInChI=1S/C12H22N2OS/c1-11(2,3)14-6-5-12(4,15)9-10-13-7-8-16-10/h7-8,14-15H,5-6,9H2,1-4H3
InChIKeySCYPTIJORWWBOJ-UHFFFAOYSA-N
XLogP2.21
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79819044
2-methyl-N-[3-(1,3-thiazol-2-yl)propyl]propan-2-amine
CID 79823969
1-(2-methoxyethylamino)-2-methyl-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79819687
3-(1,3-thiazol-2-ylmethyl)pentan-3-ol
CID 79819045
2-[[2-methyl-1-(1,3-thiazol-2-yl)propan-2-yl]amino]acetic acid;propane
CID 144892398
1-(5-bromothiophen-2-yl)-4-(tert-butylamino)-2-methylbutan-2-ol
CID 66003447
4-[2-hydroxy-1-(1,3-thiazol-2-yl)propan-2-yl]phenol
CID 83075531
2-(2,5-dimethylphenyl)-1-(1,3-thiazol-2-yl)propan-2-ol
CID 79823757
4-(tert-butylamino)-1-(2,5-dimethylpyrazol-3-yl)-2-methylbutan-2-ol
CID 66002859
2-methyl-2-(1,3-thiazol-2-ylmethylamino)propanoic acid
CID 78969560
4-(tert-butylamino)-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 66002071
N,2,3-trimethyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
CID 83160468

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol?
The IUPAC name of 4-(tert-butylamino)-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol (CID 79820463) is 4-(tert-butylamino)-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol.
What is the SMILES notation for 4-(tert-butylamino)-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol?
The canonical SMILES for 4-(tert-butylamino)-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol is CC(O)(CCNC(C)(C)C)Cc1nccs1.
What is the InChIKey of 4-(tert-butylamino)-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol?
The InChIKey is SCYPTIJORWWBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-11(2,3)14-6-5-12(4,15)9-10-13-7-8-16-10/h7-8,14-15H,5-6,9H2,1-4H3.
What are the key properties of 4-(tert-butylamino)-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol?
4-(tert-butylamino)-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol has a molecular weight of 242.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-methyl-1-(1,3-thiazol-2-yl)butan-2-ol is sourced from PubChem (CID 79820463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).