4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole

C10H14N2O2S — CID 67579600

IUPAC4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole
SMILESCC1OC(c2csc(C3CCCN3)n2)O1
InChIInChI=1S/C10H14N2O2S/c1-6-13-10(14-6)8-5-15-9(12-8)7-3-2-4-11-7/h5-7,10-11H,2-4H2,1H3
InChIKeyZSQQPLODXUIGOO-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.96
Rot. Bonds2

About 4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole

4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole (PubChem CID 67579600) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole
PubChem CID67579600
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole
SMILESCC1OC(c2csc(C3CCCN3)n2)O1
InChIInChI=1S/C10H14N2O2S/c1-6-13-10(14-6)8-5-15-9(12-8)7-3-2-4-11-7/h5-7,10-11H,2-4H2,1H3
InChIKeyZSQQPLODXUIGOO-UHFFFAOYSA-N
XLogP1.96
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopentyl-2-piperidin-2-yl-1,3-thiazole
CID 62634064
2-(3-methylcyclohexyl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928728
4-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 62539820
4-(1,3-benzodioxol-5-yl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 62541943
N,N-dimethyl-4-(2-piperidin-2-yl-1,3-thiazol-4-yl)aniline
CID 67356783
N,N-dimethyl-4-pyrrolidin-2-yl-1,3-thiazol-2-amine
CID 112704147
4-(4-methyl-3-nitrophenyl)-2-pyrrolidin-2-yl-1,3-thiazole
CID 62541762
2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine
CID 83292303
2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)acetaldehyde
CID 115088378
2-[2-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanamine
CID 82670556
5-pyrrolidin-2-yl-3-[4-[4-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)phenyl]phenyl]-1,2,4-oxadiazole
CID 67225116
3-(4-cyclopentyl-1,3-thiazol-2-yl)morpholine;hydrochloride
CID 120581945

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole?
The IUPAC name of 4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole (CID 67579600) is 4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole is CC1OC(c2csc(C3CCCN3)n2)O1.
What is the InChIKey of 4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole?
The InChIKey is ZSQQPLODXUIGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-6-13-10(14-6)8-5-15-9(12-8)7-3-2-4-11-7/h5-7,10-11H,2-4H2,1H3.
What are the key properties of 4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole?
4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole has a molecular weight of 226.30 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-dioxetan-2-yl)-2-pyrrolidin-2-yl-1,3-thiazole is sourced from PubChem (CID 67579600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).