5-methyl-2-[2-[[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]-1,3-thiazol-4-yl]-1H-pyrazol-3-one

C14H12N6O2S3 — CID 58704669

IUPAC5-methyl-2-[2-[[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]-1,3-thiazol-4-yl]-1H-pyrazol-3-one
SMILESCc1cc(=O)n(-c2csc(Sc3nc(-n4[nH]c(C)cc4=O)cs3)n2)[nH]1
InChIInChI=1S/C14H12N6O2S3/c1-7-3-11(21)19(17-7)9-5-23-13(15-9)25-14-16-10(6-24-14)20-12(22)4-8(2)18-20/h3-6,17-18H,1-2H3
InChIKeyDTDZGARJCCQSJD-UHFFFAOYSA-N
MW392.49 g/mol
LogP2.33
Rot. Bonds4

About 5-methyl-2-[2-[[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]-1,3-thiazol-4-yl]-1H-pyrazol-3-one

5-methyl-2-[2-[[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]-1,3-thiazol-4-yl]-1H-pyrazol-3-one (PubChem CID 58704669) has the molecular formula C14H12N6O2S3 and a molecular weight of 392.49 g/mol. Its IUPAC name is 5-methyl-2-[2-[[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]-1,3-thiazol-4-yl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-[2-[[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]-1,3-thiazol-4-yl]-1H-pyrazol-3-one
PubChem CID58704669
Molecular FormulaC14H12N6O2S3
Molecular Weight392.49 g/mol
Exact Mass392.02
IUPAC Name5-methyl-2-[2-[[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]-1,3-thiazol-4-yl]-1H-pyrazol-3-one
SMILESCc1cc(=O)n(-c2csc(Sc3nc(-n4[nH]c(C)cc4=O)cs3)n2)[nH]1
InChIInChI=1S/C14H12N6O2S3/c1-7-3-11(21)19(17-7)9-5-23-13(15-9)25-14-16-10(6-24-14)20-12(22)4-8(2)18-20/h3-6,17-18H,1-2H3
InChIKeyDTDZGARJCCQSJD-UHFFFAOYSA-N
XLogP2.33
TPSA101.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-methyl-2-[2-[[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]-1,3-thiazol-4-yl]-1H-pyrazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-[[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]-1,3-thiazol-4-yl]-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-[2-[[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]-1,3-thiazol-4-yl]-1H-pyrazol-3-one (CID 58704669) is 5-methyl-2-[2-[[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]-1,3-thiazol-4-yl]-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-[2-[[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]-1,3-thiazol-4-yl]-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-[2-[[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]-1,3-thiazol-4-yl]-1H-pyrazol-3-one is Cc1cc(=O)n(-c2csc(Sc3nc(-n4[nH]c(C)cc4=O)cs3)n2)[nH]1.
What is the InChIKey of 5-methyl-2-[2-[[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]-1,3-thiazol-4-yl]-1H-pyrazol-3-one?
The InChIKey is DTDZGARJCCQSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2S3/c1-7-3-11(21)19(17-7)9-5-23-13(15-9)25-14-16-10(6-24-14)20-12(22)4-8(2)18-20/h3-6,17-18H,1-2H3.
What are the key properties of 5-methyl-2-[2-[[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]-1,3-thiazol-4-yl]-1H-pyrazol-3-one?
5-methyl-2-[2-[[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]-1,3-thiazol-4-yl]-1H-pyrazol-3-one has a molecular weight of 392.49 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-[[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1,3-thiazol-2-yl]sulfanyl]-1,3-thiazol-4-yl]-1H-pyrazol-3-one is sourced from PubChem (CID 58704669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).