2-methyl-6-(1,3-thiazol-2-ylamino)heptanoic acid

C11H18N2O2S — CID 65290159

IUPAC2-methyl-6-(1,3-thiazol-2-ylamino)heptanoic acid
SMILESCC(CCCC(C)C(=O)O)Nc1nccs1
InChIInChI=1S/C11H18N2O2S/c1-8(10(14)15)4-3-5-9(2)13-11-12-6-7-16-11/h6-9H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyMMEZTVKEGUGABX-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.83
Rot. Bonds7

About 2-methyl-6-(1,3-thiazol-2-ylamino)heptanoic acid

2-methyl-6-(1,3-thiazol-2-ylamino)heptanoic acid (PubChem CID 65290159) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-methyl-6-(1,3-thiazol-2-ylamino)heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-(1,3-thiazol-2-ylamino)heptanoic acid
PubChem CID65290159
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-methyl-6-(1,3-thiazol-2-ylamino)heptanoic acid
SMILESCC(CCCC(C)C(=O)O)Nc1nccs1
InChIInChI=1S/C11H18N2O2S/c1-8(10(14)15)4-3-5-9(2)13-11-12-6-7-16-11/h6-9H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyMMEZTVKEGUGABX-UHFFFAOYSA-N
XLogP2.83
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1,3-thiazol-2-ylamino)heptanoic acid?
The IUPAC name of 2-methyl-6-(1,3-thiazol-2-ylamino)heptanoic acid (CID 65290159) is 2-methyl-6-(1,3-thiazol-2-ylamino)heptanoic acid.
What is the SMILES notation for 2-methyl-6-(1,3-thiazol-2-ylamino)heptanoic acid?
The canonical SMILES for 2-methyl-6-(1,3-thiazol-2-ylamino)heptanoic acid is CC(CCCC(C)C(=O)O)Nc1nccs1.
What is the InChIKey of 2-methyl-6-(1,3-thiazol-2-ylamino)heptanoic acid?
The InChIKey is MMEZTVKEGUGABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8(10(14)15)4-3-5-9(2)13-11-12-6-7-16-11/h6-9H,3-5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-methyl-6-(1,3-thiazol-2-ylamino)heptanoic acid?
2-methyl-6-(1,3-thiazol-2-ylamino)heptanoic acid has a molecular weight of 242.34 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1,3-thiazol-2-ylamino)heptanoic acid is sourced from PubChem (CID 65290159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).