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

C8H12N2S2 — CID 123922711

IUPAC2-propan-2-yl-5-sulfanyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)CN(S)C2
InChIInChI=1S/C8H12N2S2/c1-5(2)8-9-6-3-10(11)4-7(6)12-8/h5,11H,3-4H2,1-2H3
InChIKeyNMOMZVIQJKORAU-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.43
Rot. Bonds1

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

2-propan-2-yl-5-sulfanyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole (PubChem CID 123922711) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-propan-2-yl-5-sulfanyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-sulfanyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
PubChem CID123922711
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name2-propan-2-yl-5-sulfanyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)CN(S)C2
InChIInChI=1S/C8H12N2S2/c1-5(2)8-9-6-3-10(11)4-7(6)12-8/h5,11H,3-4H2,1-2H3
InChIKeyNMOMZVIQJKORAU-UHFFFAOYSA-N
XLogP2.43
TPSA16.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-sulfanyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
The IUPAC name of 2-propan-2-yl-5-sulfanyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole (CID 123922711) is 2-propan-2-yl-5-sulfanyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole.
What is the SMILES notation for 2-propan-2-yl-5-sulfanyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
The canonical SMILES for 2-propan-2-yl-5-sulfanyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole is CC(C)c1nc2c(s1)CN(S)C2.
What is the InChIKey of 2-propan-2-yl-5-sulfanyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
The InChIKey is NMOMZVIQJKORAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c1-5(2)8-9-6-3-10(11)4-7(6)12-8/h5,11H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-yl-5-sulfanyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
2-propan-2-yl-5-sulfanyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole has a molecular weight of 200.33 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-sulfanyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole is sourced from PubChem (CID 123922711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).