4-hydroxy-2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-1,3-thiazole-5-carboxylic acid

C10H7N3O3S2 — CID 137061238

IUPAC4-hydroxy-2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nn2ccsc2c1-c1nc(O)c(C(=O)O)s1
InChIInChI=1S/C10H7N3O3S2/c1-4-5(9-13(12-4)2-3-17-9)8-11-7(14)6(18-8)10(15)16/h2-3,14H,1H3,(H,15,16)
InChIKeyGHGFVNQFFPSKEY-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.23
Rot. Bonds2

About 4-hydroxy-2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-1,3-thiazole-5-carboxylic acid

4-hydroxy-2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 137061238) has the molecular formula C10H7N3O3S2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-hydroxy-2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID137061238
Molecular FormulaC10H7N3O3S2
Molecular Weight281.32 g/mol
Exact Mass280.99
IUPAC Name4-hydroxy-2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nn2ccsc2c1-c1nc(O)c(C(=O)O)s1
InChIInChI=1S/C10H7N3O3S2/c1-4-5(9-13(12-4)2-3-17-9)8-11-7(14)6(18-8)10(15)16/h2-3,14H,1H3,(H,15,16)
InChIKeyGHGFVNQFFPSKEY-UHFFFAOYSA-N
XLogP2.23
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl 2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-4-(trifluoromethylsulfonyloxy)-1,3-thiazole-5-carboxylate
CID 86649593
4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 66856056
2-(3-ethyl-1-methylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 112670116
2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 107124586
4-(2-methylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 114360493
2-(2-bromophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 43155311
2-(4,5-dibromothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 102842168
3-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxylic acid
CID 63798219
5-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-phenylthiophene-2-carboxylic acid
CID 58094953
4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 62502517
2-(4,5-dibromofuran-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62084807
4-methyl-2-[1-(2-phenylethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxylic acid
CID 123346434

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-hydroxy-2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-1,3-thiazole-5-carboxylic acid (CID 137061238) is 4-hydroxy-2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-1,3-thiazole-5-carboxylic acid is Cc1nn2ccsc2c1-c1nc(O)c(C(=O)O)s1.
What is the InChIKey of 4-hydroxy-2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is GHGFVNQFFPSKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3S2/c1-4-5(9-13(12-4)2-3-17-9)8-11-7(14)6(18-8)10(15)16/h2-3,14H,1H3,(H,15,16).
What are the key properties of 4-hydroxy-2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-1,3-thiazole-5-carboxylic acid?
4-hydroxy-2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 281.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 137061238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).