2-propan-2-yl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylic acid

C9H10N2O2S — CID 147627126

IUPAC2-propan-2-yl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylic acid
SMILESCC(C)c1nc2cc(C(=O)O)[nH]c2s1
InChIInChI=1S/C9H10N2O2S/c1-4(2)7-10-5-3-6(9(12)13)11-8(5)14-7/h3-4,11H,1-2H3,(H,12,13)
InChIKeyGEZUJPASVCOOOQ-UHFFFAOYSA-N
MW210.26 g/mol
LogP2.45
Rot. Bonds2

About 2-propan-2-yl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylic acid

2-propan-2-yl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylic acid (PubChem CID 147627126) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-propan-2-yl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylic acid
PubChem CID147627126
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name2-propan-2-yl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylic acid
SMILESCC(C)c1nc2cc(C(=O)O)[nH]c2s1
InChIInChI=1S/C9H10N2O2S/c1-4(2)7-10-5-3-6(9(12)13)11-8(5)14-7/h3-4,11H,1-2H3,(H,12,13)
InChIKeyGEZUJPASVCOOOQ-UHFFFAOYSA-N
XLogP2.45
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxylic acid
CID 117407859
3-(2-propan-2-yl-1,3-benzothiazol-4-yl)-1H-pyrazole-5-carboxylic acid
CID 117463639
3-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 117465769
4-amino-5-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 82413397
1-(2-propan-2-yl-1,3-benzothiazol-5-yl)cyclobutane-1-carboxylic acid
CID 117440727
5-(3,5-dichlorophenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510928
3-amino-2-(2-propan-2-yl-1,3-benzothiazol-5-yl)propanoic acid
CID 117415560
2-(5-bromo-2-propan-2-yl-1,3-thiazol-4-yl)propanoic acid
CID 83904570
4-tert-butyl-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226722
5-(4-bromo-3-methylphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510943
5-bromo-6-oxo-3-propan-2-yl-1H-pyridine-2-carboxylic acid
CID 84729551
4-bromo-5-propan-2-ylthiophene-2-carboxylic acid
CID 83671396

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 2-propan-2-yl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylic acid (CID 147627126) is 2-propan-2-yl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylic acid is CC(C)c1nc2cc(C(=O)O)[nH]c2s1.
What is the InChIKey of 2-propan-2-yl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylic acid?
The InChIKey is GEZUJPASVCOOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-4(2)7-10-5-3-6(9(12)13)11-8(5)14-7/h3-4,11H,1-2H3,(H,12,13).
What are the key properties of 2-propan-2-yl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylic acid?
2-propan-2-yl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylic acid has a molecular weight of 210.26 g/mol, XLogP of 2.45, 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-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 147627126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).