2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid

C10H15NO2S — CID 63892978

IUPAC2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)(C)Cc1nc(CC(=O)O)cs1
InChIInChI=1S/C10H15NO2S/c1-10(2,3)5-8-11-7(6-14-8)4-9(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyRFQUYSJXQDJKGI-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.36
Rot. Bonds3

About 2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid

2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 63892978) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID63892978
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)(C)Cc1nc(CC(=O)O)cs1
InChIInChI=1S/C10H15NO2S/c1-10(2,3)5-8-11-7(6-14-8)4-9(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyRFQUYSJXQDJKGI-UHFFFAOYSA-N
XLogP2.36
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoic acid
CID 103485574
2-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]acetic acid
CID 59238394
2-[2-(2-methylprop-2-enyl)-1,3-thiazol-4-yl]acetic acid
CID 82054960
2-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]acetic acid
CID 84779358
4-(4-ethyl-1,3-thiazol-2-yl)-3,3-dimethylbutanoic acid
CID 116968711
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-4-yl]acetic acid
CID 66917505
ethyl 3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoate
CID 103485384
2-[2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]acetic acid
CID 65129995
2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 94256908
2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 94260388
2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
CID 16785815
4-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)-1,3-thiazole
CID 170239016

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid (CID 63892978) is 2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid is CC(C)(C)Cc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is RFQUYSJXQDJKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-10(2,3)5-8-11-7(6-14-8)4-9(12)13/h6H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 213.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 63892978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).