2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid

C10H15NO2S — CID 62313602

IUPAC2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid
SMILESCCC(CC)c1nc(CC(=O)O)cs1
InChIInChI=1S/C10H15NO2S/c1-3-7(4-2)10-11-8(6-14-10)5-9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyWQAAFQOKEYONGB-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.67
Rot. Bonds5

About 2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid

2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid (PubChem CID 62313602) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid
PubChem CID62313602
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid
SMILESCCC(CC)c1nc(CC(=O)O)cs1
InChIInChI=1S/C10H15NO2S/c1-3-7(4-2)10-11-8(6-14-10)5-9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyWQAAFQOKEYONGB-UHFFFAOYSA-N
XLogP2.67
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pentan-3-yl-1,3-thiazol-4-yl)propan-2-one
CID 118396881
2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid
CID 116705225
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548148
2-[2-(1-hydroxyhexadecyl)-1,3-thiazol-4-yl]acetic acid
CID 123466520
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
CID 124512662
2-[2-(2-methylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
CID 16791992
2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid
CID 83876777
2-[2-(2-methylbutylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576968
2-[2-[1-methoxypropan-2-yl(methyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80575301
2-[2-[dimethylamino(furan-2-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82045100
2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetic acid
CID 82547915
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673

Frequently Asked Questions

What is the IUPAC name of 2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid (CID 62313602) is 2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid is CCC(CC)c1nc(CC(=O)O)cs1.
What is the InChIKey of 2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid?
The InChIKey is WQAAFQOKEYONGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-7(4-2)10-11-8(6-14-10)5-9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid?
2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid has a molecular weight of 213.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 62313602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).