2-propan-2-yl-2,3-dihydro-1,3-thiazole-4-carboxylic acid

C7H11NO2S — CID 146238765

IUPAC2-propan-2-yl-2,3-dihydro-1,3-thiazole-4-carboxylic acid
SMILESCC(C)C1NC(C(=O)O)=CS1
InChIInChI=1S/C7H11NO2S/c1-4(2)6-8-5(3-11-6)7(9)10/h3-4,6,8H,1-2H3,(H,9,10)
InChIKeyFHGIMWNZLDWOLY-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.23
Rot. Bonds2

About 2-propan-2-yl-2,3-dihydro-1,3-thiazole-4-carboxylic acid

2-propan-2-yl-2,3-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 146238765) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-propan-2-yl-2,3-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-2,3-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID146238765
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name2-propan-2-yl-2,3-dihydro-1,3-thiazole-4-carboxylic acid
SMILESCC(C)C1NC(C(=O)O)=CS1
InChIInChI=1S/C7H11NO2S/c1-4(2)6-8-5(3-11-6)7(9)10/h3-4,6,8H,1-2H3,(H,9,10)
InChIKeyFHGIMWNZLDWOLY-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2,3-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-propan-2-yl-2,3-dihydro-1,3-thiazole-4-carboxylic acid (CID 146238765) is 2-propan-2-yl-2,3-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-2,3-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-2,3-dihydro-1,3-thiazole-4-carboxylic acid is CC(C)C1NC(C(=O)O)=CS1.
What is the InChIKey of 2-propan-2-yl-2,3-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is FHGIMWNZLDWOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-4(2)6-8-5(3-11-6)7(9)10/h3-4,6,8H,1-2H3,(H,9,10).
What are the key properties of 2-propan-2-yl-2,3-dihydro-1,3-thiazole-4-carboxylic acid?
2-propan-2-yl-2,3-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 173.24 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2,3-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 146238765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).