5-methyl-2-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole

C9H14N2S — CID 90267856

IUPAC5-methyl-2-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)CN(C)C2
InChIInChI=1S/C9H14N2S/c1-6(2)9-10-7-4-11(3)5-8(7)12-9/h6H,4-5H2,1-3H3
InChIKeyTVIIXECRSIRXSD-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.21
Rot. Bonds1

About 5-methyl-2-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole

5-methyl-2-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole (PubChem CID 90267856) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
PubChem CID90267856
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name5-methyl-2-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)CN(C)C2
InChIInChI=1S/C9H14N2S/c1-6(2)9-10-7-4-11(3)5-8(7)12-9/h6H,4-5H2,1-3H3
InChIKeyTVIIXECRSIRXSD-UHFFFAOYSA-N
XLogP2.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
The IUPAC name of 5-methyl-2-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole (CID 90267856) is 5-methyl-2-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole.
What is the SMILES notation for 5-methyl-2-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
The canonical SMILES for 5-methyl-2-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole is CC(C)c1nc2c(s1)CN(C)C2.
What is the InChIKey of 5-methyl-2-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
The InChIKey is TVIIXECRSIRXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-6(2)9-10-7-4-11(3)5-8(7)12-9/h6H,4-5H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
5-methyl-2-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole has a molecular weight of 182.29 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole is sourced from PubChem (CID 90267856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).