5,5-dimethyl-2-(1H-pyrazol-4-yl)-1,3-thiazolidine

C8H13N3S — CID 173196989

IUPAC5,5-dimethyl-2-(1H-pyrazol-4-yl)-1,3-thiazolidine
SMILESCC1(C)CNC(c2cn[nH]c2)S1
InChIInChI=1S/C8H13N3S/c1-8(2)5-9-7(12-8)6-3-10-11-4-6/h3-4,7,9H,5H2,1-2H3,(H,10,11)
InChIKeyMQTDSADAXSMWKI-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.52
Rot. Bonds1

About 5,5-dimethyl-2-(1H-pyrazol-4-yl)-1,3-thiazolidine

5,5-dimethyl-2-(1H-pyrazol-4-yl)-1,3-thiazolidine (PubChem CID 173196989) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 5,5-dimethyl-2-(1H-pyrazol-4-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name5,5-dimethyl-2-(1H-pyrazol-4-yl)-1,3-thiazolidine
PubChem CID173196989
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name5,5-dimethyl-2-(1H-pyrazol-4-yl)-1,3-thiazolidine
SMILESCC1(C)CNC(c2cn[nH]c2)S1
InChIInChI=1S/C8H13N3S/c1-8(2)5-9-7(12-8)6-3-10-11-4-6/h3-4,7,9H,5H2,1-2H3,(H,10,11)
InChIKeyMQTDSADAXSMWKI-UHFFFAOYSA-N
XLogP1.52
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(1H-pyrazol-4-yl)-1,3-thiazolidine?
The IUPAC name of 5,5-dimethyl-2-(1H-pyrazol-4-yl)-1,3-thiazolidine (CID 173196989) is 5,5-dimethyl-2-(1H-pyrazol-4-yl)-1,3-thiazolidine.
What is the SMILES notation for 5,5-dimethyl-2-(1H-pyrazol-4-yl)-1,3-thiazolidine?
The canonical SMILES for 5,5-dimethyl-2-(1H-pyrazol-4-yl)-1,3-thiazolidine is CC1(C)CNC(c2cn[nH]c2)S1.
What is the InChIKey of 5,5-dimethyl-2-(1H-pyrazol-4-yl)-1,3-thiazolidine?
The InChIKey is MQTDSADAXSMWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-8(2)5-9-7(12-8)6-3-10-11-4-6/h3-4,7,9H,5H2,1-2H3,(H,10,11).
What are the key properties of 5,5-dimethyl-2-(1H-pyrazol-4-yl)-1,3-thiazolidine?
5,5-dimethyl-2-(1H-pyrazol-4-yl)-1,3-thiazolidine has a molecular weight of 183.28 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(1H-pyrazol-4-yl)-1,3-thiazolidine is sourced from PubChem (CID 173196989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).