(4-methyl-1H-pyrazol-5-yl)-(1,3-thiazolidin-3-yl)methanone

C8H11N3OS — CID 130660375

IUPAC(4-methyl-1H-pyrazol-5-yl)-(1,3-thiazolidin-3-yl)methanone
SMILESCc1cn[nH]c1C(=O)N1CCSC1
InChIInChI=1S/C8H11N3OS/c1-6-4-9-10-7(6)8(12)11-2-3-13-5-11/h4H,2-3,5H2,1H3,(H,9,10)
InChIKeyRSPCMEHQVHMRAV-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.86
Rot. Bonds1

About (4-methyl-1H-pyrazol-5-yl)-(1,3-thiazolidin-3-yl)methanone

(4-methyl-1H-pyrazol-5-yl)-(1,3-thiazolidin-3-yl)methanone (PubChem CID 130660375) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is (4-methyl-1H-pyrazol-5-yl)-(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-methyl-1H-pyrazol-5-yl)-(1,3-thiazolidin-3-yl)methanone
PubChem CID130660375
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name(4-methyl-1H-pyrazol-5-yl)-(1,3-thiazolidin-3-yl)methanone
SMILESCc1cn[nH]c1C(=O)N1CCSC1
InChIInChI=1S/C8H11N3OS/c1-6-4-9-10-7(6)8(12)11-2-3-13-5-11/h4H,2-3,5H2,1H3,(H,9,10)
InChIKeyRSPCMEHQVHMRAV-UHFFFAOYSA-N
XLogP0.86
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1H-pyrazol-5-yl)-(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of (4-methyl-1H-pyrazol-5-yl)-(1,3-thiazolidin-3-yl)methanone (CID 130660375) is (4-methyl-1H-pyrazol-5-yl)-(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for (4-methyl-1H-pyrazol-5-yl)-(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for (4-methyl-1H-pyrazol-5-yl)-(1,3-thiazolidin-3-yl)methanone is Cc1cn[nH]c1C(=O)N1CCSC1.
What is the InChIKey of (4-methyl-1H-pyrazol-5-yl)-(1,3-thiazolidin-3-yl)methanone?
The InChIKey is RSPCMEHQVHMRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-6-4-9-10-7(6)8(12)11-2-3-13-5-11/h4H,2-3,5H2,1H3,(H,9,10).
What are the key properties of (4-methyl-1H-pyrazol-5-yl)-(1,3-thiazolidin-3-yl)methanone?
(4-methyl-1H-pyrazol-5-yl)-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 197.26 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1H-pyrazol-5-yl)-(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 130660375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).