6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylhexanoic acid

C13H22N2O2S — CID 65284896

IUPAC6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylhexanoic acid
SMILESCc1nc(NCCC(C)(C)CCC(=O)O)sc1C
InChIInChI=1S/C13H22N2O2S/c1-9-10(2)18-12(15-9)14-8-7-13(3,4)6-5-11(16)17/h5-8H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyDYMURHHRSIIXGI-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.45
Rot. Bonds7

About 6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylhexanoic acid

6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylhexanoic acid (PubChem CID 65284896) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylhexanoic acid
PubChem CID65284896
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylhexanoic acid
SMILESCc1nc(NCCC(C)(C)CCC(=O)O)sc1C
InChIInChI=1S/C13H22N2O2S/c1-9-10(2)18-12(15-9)14-8-7-13(3,4)6-5-11(16)17/h5-8H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyDYMURHHRSIIXGI-UHFFFAOYSA-N
XLogP3.45
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylhexanoic acid (CID 65284896) is 6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylhexanoic acid is Cc1nc(NCCC(C)(C)CCC(=O)O)sc1C.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is DYMURHHRSIIXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9-10(2)18-12(15-9)14-8-7-13(3,4)6-5-11(16)17/h5-8H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylhexanoic acid?
6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 270.40 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65284896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).