2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid

C10H15NO2S — CID 82069378

IUPAC2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid
SMILESCCc1nc(C(C)C)c(CC(=O)O)s1
InChIInChI=1S/C10H15NO2S/c1-4-8-11-10(6(2)3)7(14-8)5-9(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyPBSJIWWPAAPGSI-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.46
Rot. Bonds4

About 2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid

2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid (PubChem CID 82069378) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid
PubChem CID82069378
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid
SMILESCCc1nc(C(C)C)c(CC(=O)O)s1
InChIInChI=1S/C10H15NO2S/c1-4-8-11-10(6(2)3)7(14-8)5-9(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyPBSJIWWPAAPGSI-UHFFFAOYSA-N
XLogP2.46
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(ethylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
CID 82434501
2-[2-(diethylaminomethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
CID 82435214
2-[2-[2-(diethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
CID 82435403
2-[4-propan-2-yl-2-(propan-2-ylsulfonylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82434518
2-[2-(phenoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
CID 82434092
2-[2-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
CID 82435498
2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetonitrile
CID 82433596
2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069356
2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82429290
2-[5-(diethylaminomethyl)-2-ethyl-1,3-thiazol-4-yl]acetic acid
CID 82069250
2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid
CID 82069366
2-ethyl-5-methoxy-4-propan-2-yl-1,3-thiazole
CID 174404284

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid (CID 82069378) is 2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid is CCc1nc(C(C)C)c(CC(=O)O)s1.
What is the InChIKey of 2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid?
The InChIKey is PBSJIWWPAAPGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-4-8-11-10(6(2)3)7(14-8)5-9(12)13/h6H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid?
2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid has a molecular weight of 213.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 82069378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).