5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine

C8H13N3S — CID 66242871

IUPAC5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine
SMILESCC1CNC(c2cnn(C)c2)S1
InChIInChI=1S/C8H13N3S/c1-6-3-9-8(12-6)7-4-10-11(2)5-7/h4-6,8-9H,3H2,1-2H3
InChIKeyJKAXKWBVNXCSKF-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.14
Rot. Bonds1

About 5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine

5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine (PubChem CID 66242871) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine
PubChem CID66242871
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine
SMILESCC1CNC(c2cnn(C)c2)S1
InChIInChI=1S/C8H13N3S/c1-6-3-9-8(12-6)7-4-10-11(2)5-7/h4-6,8-9H,3H2,1-2H3
InChIKeyJKAXKWBVNXCSKF-UHFFFAOYSA-N
XLogP1.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(2-methylpyrazol-3-yl)-1,3-thiazolidine
CID 114554265
(2S,6R)-2-methyl-6-(1-methylpyrazol-4-yl)morpholine
CID 177322255
2-(6-methoxy-3-pyridinyl)-5-methyl-1,3-thiazolidine
CID 114938311
1-methyl-4-[(2R)-oxiran-2-yl]pyrazole
CID 83129463
5-methyl-2-(2-methylquinolin-6-yl)-1,3-thiazolidine
CID 105379347
2,4-dimethyl-6-(1-methylpyrazol-4-yl)morpholine
CID 177322360
[(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 86767710
ethane;2-(1-methylpyrazol-4-yl)morpholine
CID 177151428
1-methyl-4-[(3R)-3-methylcyclohexyl]pyrazole
CID 170382090
4,4-difluoro-3-(1-methylpyrazol-4-yl)piperidine;hydrochloride
CID 166561535
(3R)-7,7-difluoro-3-(1-methylpyrazol-4-yl)-2-azaspiro[3.5]nonane
CID 125457899
6-methyl-2-(2-methyltriazol-4-yl)-1,3-thiazinane
CID 130645888

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine?
The IUPAC name of 5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine (CID 66242871) is 5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine.
What is the SMILES notation for 5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine?
The canonical SMILES for 5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine is CC1CNC(c2cnn(C)c2)S1.
What is the InChIKey of 5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine?
The InChIKey is JKAXKWBVNXCSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-6-3-9-8(12-6)7-4-10-11(2)5-7/h4-6,8-9H,3H2,1-2H3.
What are the key properties of 5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine?
5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine has a molecular weight of 183.28 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazolidine is sourced from PubChem (CID 66242871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).