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

C8H10ClNO2S — CID 69474310

IUPAC2-(5-chloro-2-propan-2-yl-1,3-thiazol-4-yl)acetic acid
SMILESCC(C)c1nc(CC(=O)O)c(Cl)s1
InChIInChI=1S/C8H10ClNO2S/c1-4(2)8-10-5(3-6(11)12)7(9)13-8/h4H,3H2,1-2H3,(H,11,12)
InChIKeyPWZHDEKBBMOBNU-UHFFFAOYSA-N
MW219.69 g/mol
LogP2.55
Rot. Bonds3

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

2-(5-chloro-2-propan-2-yl-1,3-thiazol-4-yl)acetic acid (PubChem CID 69474310) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 2-(5-chloro-2-propan-2-yl-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-propan-2-yl-1,3-thiazol-4-yl)acetic acid
PubChem CID69474310
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name2-(5-chloro-2-propan-2-yl-1,3-thiazol-4-yl)acetic acid
SMILESCC(C)c1nc(CC(=O)O)c(Cl)s1
InChIInChI=1S/C8H10ClNO2S/c1-4(2)8-10-5(3-6(11)12)7(9)13-8/h4H,3H2,1-2H3,(H,11,12)
InChIKeyPWZHDEKBBMOBNU-UHFFFAOYSA-N
XLogP2.55
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-propan-2-yl-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(5-chloro-2-propan-2-yl-1,3-thiazol-4-yl)acetic acid (CID 69474310) is 2-(5-chloro-2-propan-2-yl-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(5-chloro-2-propan-2-yl-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(5-chloro-2-propan-2-yl-1,3-thiazol-4-yl)acetic acid is CC(C)c1nc(CC(=O)O)c(Cl)s1.
What is the InChIKey of 2-(5-chloro-2-propan-2-yl-1,3-thiazol-4-yl)acetic acid?
The InChIKey is PWZHDEKBBMOBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-4(2)8-10-5(3-6(11)12)7(9)13-8/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-(5-chloro-2-propan-2-yl-1,3-thiazol-4-yl)acetic acid?
2-(5-chloro-2-propan-2-yl-1,3-thiazol-4-yl)acetic acid has a molecular weight of 219.69 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-propan-2-yl-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 69474310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).