5-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]thiazole

C6H10N2S — CID 89144813

IUPAC5-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]thiazole
SMILESCN1CC2N=CSC2C1
InChIInChI=1S/C6H10N2S/c1-8-2-5-6(3-8)9-4-7-5/h4-6H,2-3H2,1H3
InChIKeySSMWXCJNOVUGLS-UHFFFAOYSA-N
MW142.23 g/mol
LogP0.44
Rot. Bonds

About 5-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]thiazole

5-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]thiazole (PubChem CID 89144813) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 5-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name5-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]thiazole
PubChem CID89144813
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name5-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]thiazole
SMILESCN1CC2N=CSC2C1
InChIInChI=1S/C6H10N2S/c1-8-2-5-6(3-8)9-4-7-5/h4-6H,2-3H2,1H3
InChIKeySSMWXCJNOVUGLS-UHFFFAOYSA-N
XLogP0.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]thiazole?
The IUPAC name of 5-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]thiazole (CID 89144813) is 5-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]thiazole.
What is the SMILES notation for 5-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]thiazole?
The canonical SMILES for 5-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]thiazole is CN1CC2N=CSC2C1.
What is the InChIKey of 5-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]thiazole?
The InChIKey is SSMWXCJNOVUGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-8-2-5-6(3-8)9-4-7-5/h4-6H,2-3H2,1H3.
What are the key properties of 5-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]thiazole?
5-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]thiazole has a molecular weight of 142.23 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]thiazole is sourced from PubChem (CID 89144813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).