2-ethyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole

C9H11N3S — CID 162341274

IUPAC2-ethyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
SMILESCCc1nc(C)c(-c2ccn[nH]2)s1
InChIInChI=1S/C9H11N3S/c1-3-8-11-6(2)9(13-8)7-4-5-10-12-7/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyONJUFMPJFIAONQ-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.40
Rot. Bonds2

About 2-ethyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole

2-ethyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole (PubChem CID 162341274) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 2-ethyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
PubChem CID162341274
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name2-ethyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
SMILESCCc1nc(C)c(-c2ccn[nH]2)s1
InChIInChI=1S/C9H11N3S/c1-3-8-11-6(2)9(13-8)7-4-5-10-12-7/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyONJUFMPJFIAONQ-UHFFFAOYSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-ethyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole (CID 162341274) is 2-ethyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole is CCc1nc(C)c(-c2ccn[nH]2)s1.
What is the InChIKey of 2-ethyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole?
The InChIKey is ONJUFMPJFIAONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-3-8-11-6(2)9(13-8)7-4-5-10-12-7/h4-5H,3H2,1-2H3,(H,10,12).
What are the key properties of 2-ethyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole?
2-ethyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole has a molecular weight of 193.28 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-5-(1H-pyrazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 162341274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).