2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetic acid

C10H11N3O2S — CID 65195789

IUPAC2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(-c2ccn(C)n2)sc1CC(=O)O
InChIInChI=1S/C10H11N3O2S/c1-6-8(5-9(14)15)16-10(11-6)7-3-4-13(2)12-7/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyMKKGCPNOSUKZFX-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.48
Rot. Bonds3

About 2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetic acid

2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 65195789) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetic acid
PubChem CID65195789
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(-c2ccn(C)n2)sc1CC(=O)O
InChIInChI=1S/C10H11N3O2S/c1-6-8(5-9(14)15)16-10(11-6)7-3-4-13(2)12-7/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyMKKGCPNOSUKZFX-UHFFFAOYSA-N
XLogP1.48
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetic acid (CID 65195789) is 2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetic acid is Cc1nc(-c2ccn(C)n2)sc1CC(=O)O.
What is the InChIKey of 2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is MKKGCPNOSUKZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-6-8(5-9(14)15)16-10(11-6)7-3-4-13(2)12-7/h3-4H,5H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetic acid?
2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 237.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 65195789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).