2-[2-[cyclopentyl(3-methylbutyl)amino]-1,3-thiazol-4-yl]acetic acid

C15H24N2O2S — CID 80576396

IUPAC2-[2-[cyclopentyl(3-methylbutyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)CCN(c1nc(CC(=O)O)cs1)C1CCCC1
InChIInChI=1S/C15H24N2O2S/c1-11(2)7-8-17(13-5-3-4-6-13)15-16-12(10-20-15)9-14(18)19/h10-11,13H,3-9H2,1-2H3,(H,18,19)
InChIKeyWRNWDOYSOIITCQ-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.57
Rot. Bonds7

About 2-[2-[cyclopentyl(3-methylbutyl)amino]-1,3-thiazol-4-yl]acetic acid

2-[2-[cyclopentyl(3-methylbutyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 80576396) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[2-[cyclopentyl(3-methylbutyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[cyclopentyl(3-methylbutyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID80576396
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-[2-[cyclopentyl(3-methylbutyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)CCN(c1nc(CC(=O)O)cs1)C1CCCC1
InChIInChI=1S/C15H24N2O2S/c1-11(2)7-8-17(13-5-3-4-6-13)15-16-12(10-20-15)9-14(18)19/h10-11,13H,3-9H2,1-2H3,(H,18,19)
InChIKeyWRNWDOYSOIITCQ-UHFFFAOYSA-N
XLogP3.57
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopentyl(3-methylbutyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[cyclopentyl(3-methylbutyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 80576396) is 2-[2-[cyclopentyl(3-methylbutyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[cyclopentyl(3-methylbutyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[cyclopentyl(3-methylbutyl)amino]-1,3-thiazol-4-yl]acetic acid is CC(C)CCN(c1nc(CC(=O)O)cs1)C1CCCC1.
What is the InChIKey of 2-[2-[cyclopentyl(3-methylbutyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is WRNWDOYSOIITCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(2)7-8-17(13-5-3-4-6-13)15-16-12(10-20-15)9-14(18)19/h10-11,13H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-[cyclopentyl(3-methylbutyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[cyclopentyl(3-methylbutyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 296.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopentyl(3-methylbutyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 80576396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).