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

C14H13N3S2 — CID 46889102

IUPAC4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole
SMILESCSc1cc(-c2sc(-c3ccccc3)nc2C)[nH]n1
InChIInChI=1S/C14H13N3S2/c1-9-13(11-8-12(18-2)17-16-11)19-14(15-9)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,16,17)
InChIKeyHZAGIOIJBXLMJT-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.23
Rot. Bonds3

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

4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole (PubChem CID 46889102) has the molecular formula C14H13N3S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole
PubChem CID46889102
Molecular FormulaC14H13N3S2
Molecular Weight287.41 g/mol
Exact Mass287.06
IUPAC Name4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole
SMILESCSc1cc(-c2sc(-c3ccccc3)nc2C)[nH]n1
InChIInChI=1S/C14H13N3S2/c1-9-13(11-8-12(18-2)17-16-11)19-14(15-9)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,16,17)
InChIKeyHZAGIOIJBXLMJT-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole?
The IUPAC name of 4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole (CID 46889102) is 4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole is CSc1cc(-c2sc(-c3ccccc3)nc2C)[nH]n1.
What is the InChIKey of 4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole?
The InChIKey is HZAGIOIJBXLMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S2/c1-9-13(11-8-12(18-2)17-16-11)19-14(15-9)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,16,17).
What are the key properties of 4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole?
4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole has a molecular weight of 287.41 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-methylsulfanyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole is sourced from PubChem (CID 46889102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).