4-methyl-5-[2-(2-pyrazol-1-ylethylsulfanyl)ethyl]-1,3-thiazole

C11H15N3S2 — CID 154754341

IUPAC4-methyl-5-[2-(2-pyrazol-1-ylethylsulfanyl)ethyl]-1,3-thiazole
SMILESCc1ncsc1CCSCCn1cccn1
InChIInChI=1S/C11H15N3S2/c1-10-11(16-9-12-10)3-7-15-8-6-14-5-2-4-13-14/h2,4-5,9H,3,6-8H2,1H3
InChIKeyCMAZCROKIMPPGG-UHFFFAOYSA-N
MW253.40 g/mol
LogP2.62
Rot. Bonds6

About 4-methyl-5-[2-(2-pyrazol-1-ylethylsulfanyl)ethyl]-1,3-thiazole

4-methyl-5-[2-(2-pyrazol-1-ylethylsulfanyl)ethyl]-1,3-thiazole (PubChem CID 154754341) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is 4-methyl-5-[2-(2-pyrazol-1-ylethylsulfanyl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[2-(2-pyrazol-1-ylethylsulfanyl)ethyl]-1,3-thiazole
PubChem CID154754341
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name4-methyl-5-[2-(2-pyrazol-1-ylethylsulfanyl)ethyl]-1,3-thiazole
SMILESCc1ncsc1CCSCCn1cccn1
InChIInChI=1S/C11H15N3S2/c1-10-11(16-9-12-10)3-7-15-8-6-14-5-2-4-13-14/h2,4-5,9H,3,6-8H2,1H3
InChIKeyCMAZCROKIMPPGG-UHFFFAOYSA-N
XLogP2.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-(2-pyrazol-1-ylethylsulfanyl)ethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[2-(2-pyrazol-1-ylethylsulfanyl)ethyl]-1,3-thiazole (CID 154754341) is 4-methyl-5-[2-(2-pyrazol-1-ylethylsulfanyl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[2-(2-pyrazol-1-ylethylsulfanyl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[2-(2-pyrazol-1-ylethylsulfanyl)ethyl]-1,3-thiazole is Cc1ncsc1CCSCCn1cccn1.
What is the InChIKey of 4-methyl-5-[2-(2-pyrazol-1-ylethylsulfanyl)ethyl]-1,3-thiazole?
The InChIKey is CMAZCROKIMPPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-10-11(16-9-12-10)3-7-15-8-6-14-5-2-4-13-14/h2,4-5,9H,3,6-8H2,1H3.
What are the key properties of 4-methyl-5-[2-(2-pyrazol-1-ylethylsulfanyl)ethyl]-1,3-thiazole?
4-methyl-5-[2-(2-pyrazol-1-ylethylsulfanyl)ethyl]-1,3-thiazole has a molecular weight of 253.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(2-pyrazol-1-ylethylsulfanyl)ethyl]-1,3-thiazole is sourced from PubChem (CID 154754341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).