(2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol

C12H22N2OS — CID 104980601

IUPAC(2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C12H22N2OS/c1-5-9(8-15)13-6-10-7-14-11(16-10)12(2,3)4/h7,9,13,15H,5-6,8H2,1-4H3/t9-/m0/s1
InChIKeyLFEKKGZYTBBBJY-VIFPVBQESA-N
MW242.39 g/mol
LogP2.30
Rot. Bonds5

About (2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol

(2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol (PubChem CID 104980601) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is (2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
PubChem CID104980601
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name(2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCc1cnc(C(C)(C)C)s1
InChIInChI=1S/C12H22N2OS/c1-5-9(8-15)13-6-10-7-14-11(16-10)12(2,3)4/h7,9,13,15H,5-6,8H2,1-4H3/t9-/m0/s1
InChIKeyLFEKKGZYTBBBJY-VIFPVBQESA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutan-1-ol
CID 79254041
2-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butan-1-ol
CID 43771096
(2R)-2-[(5-tert-butylthiophen-2-yl)methylamino]butan-1-ol
CID 103924351
2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009042
2-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 63121141
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-cyclobutylethanamine
CID 115768431
2-[[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol
CID 103845616
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethylsulfonylethanamine
CID 103642971
1-(2-tert-butyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)methanamine
CID 82710745
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904081
2-[3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]propoxy]ethanol
CID 103992620
3-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731562

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol?
The IUPAC name of (2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol (CID 104980601) is (2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol is CC[C@@H](CO)NCc1cnc(C(C)(C)C)s1.
What is the InChIKey of (2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol?
The InChIKey is LFEKKGZYTBBBJY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2OS/c1-5-9(8-15)13-6-10-7-14-11(16-10)12(2,3)4/h7,9,13,15H,5-6,8H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol?
(2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol has a molecular weight of 242.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]butan-1-ol is sourced from PubChem (CID 104980601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).