1-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfinyl]butan-2-amine

C12H22N2OS2 — CID 81195098

IUPAC1-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfinyl]butan-2-amine
SMILESCCC(N)CS(=O)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H22N2OS2/c1-5-9(13)7-17(15)8-11-14-10(6-16-11)12(2,3)4/h6,9H,5,7-8,13H2,1-4H3
InChIKeyLVJRJIHGRFPMTE-UHFFFAOYSA-N
MW274.45 g/mol
LogP2.43
Rot. Bonds5

About 1-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfinyl]butan-2-amine

1-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfinyl]butan-2-amine (PubChem CID 81195098) has the molecular formula C12H22N2OS2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfinyl]butan-2-amine.

Molecular Properties

Compound Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfinyl]butan-2-amine
PubChem CID81195098
Molecular FormulaC12H22N2OS2
Molecular Weight274.45 g/mol
Exact Mass274.12
IUPAC Name1-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfinyl]butan-2-amine
SMILESCCC(N)CS(=O)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C12H22N2OS2/c1-5-9(13)7-17(15)8-11-14-10(6-16-11)12(2,3)4/h6,9H,5,7-8,13H2,1-4H3
InChIKeyLVJRJIHGRFPMTE-UHFFFAOYSA-N
XLogP2.43
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethylpentan-2-one
CID 115786943
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79820663
6-(4-tert-butyl-1,3-thiazol-2-yl)hex-4-yn-3-amine
CID 106225915
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanoic acid
CID 79817832
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-N-propylpentan-2-amine
CID 116715970
2-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfinyl]-6-methylaniline
CID 81186718
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116551747
4-bromo-2-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfinyl]aniline
CID 81206602
5-bromo-2-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfinyl]aniline
CID 81185809
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propanedioic acid
CID 116868102

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfinyl]butan-2-amine?
The IUPAC name of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfinyl]butan-2-amine (CID 81195098) is 1-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfinyl]butan-2-amine.
What is the SMILES notation for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfinyl]butan-2-amine?
The canonical SMILES for 1-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfinyl]butan-2-amine is CCC(N)CS(=O)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfinyl]butan-2-amine?
The InChIKey is LVJRJIHGRFPMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS2/c1-5-9(13)7-17(15)8-11-14-10(6-16-11)12(2,3)4/h6,9H,5,7-8,13H2,1-4H3.
What are the key properties of 1-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfinyl]butan-2-amine?
1-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfinyl]butan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 2.43, 5 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)methylsulfinyl]butan-2-amine is sourced from PubChem (CID 81195098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).