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

C12H20N2OS — CID 116558009

IUPAC4-(tert-butylamino)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one
SMILESCc1csc(CC(=O)CCNC(C)(C)C)n1
InChIInChI=1S/C12H20N2OS/c1-9-8-16-11(14-9)7-10(15)5-6-13-12(2,3)4/h8,13H,5-7H2,1-4H3
InChIKeyKBNUAYFMMDXQQQ-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.34
Rot. Bonds5

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

4-(tert-butylamino)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one (PubChem CID 116558009) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 4-(tert-butylamino)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one.

Molecular Properties

Compound Name4-(tert-butylamino)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one
PubChem CID116558009
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name4-(tert-butylamino)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one
SMILESCc1csc(CC(=O)CCNC(C)(C)C)n1
InChIInChI=1S/C12H20N2OS/c1-9-8-16-11(14-9)7-10(15)5-6-13-12(2,3)4/h8,13H,5-7H2,1-4H3
InChIKeyKBNUAYFMMDXQQQ-UHFFFAOYSA-N
XLogP2.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylamino)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 116555711
CID 131842856
CID 131842856
4-ethyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 82919513
1-(4-methyl-1,3-thiazol-2-yl)-3-phenylpropan-2-one
CID 62795656
1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one
CID 79567146
1-(2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797378
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 39071901
3-ethyl-3-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 103447216
1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-4-ylpropan-2-one
CID 116559994
N-butyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484403
N-tert-butyl-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 62592142
4-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116550750

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one?
The IUPAC name of 4-(tert-butylamino)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one (CID 116558009) is 4-(tert-butylamino)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one.
What is the SMILES notation for 4-(tert-butylamino)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one?
The canonical SMILES for 4-(tert-butylamino)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one is Cc1csc(CC(=O)CCNC(C)(C)C)n1.
What is the InChIKey of 4-(tert-butylamino)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one?
The InChIKey is KBNUAYFMMDXQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-8-16-11(14-9)7-10(15)5-6-13-12(2,3)4/h8,13H,5-7H2,1-4H3.
What are the key properties of 4-(tert-butylamino)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one?
4-(tert-butylamino)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one has a molecular weight of 240.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-1-(4-methyl-1,3-thiazol-2-yl)butan-2-one is sourced from PubChem (CID 116558009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).