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

C9H12N2S — CID 166823368

IUPAC6-methylidene-2-propan-2-yl-4,5-dihydropyrrolo[3,4-d][1,3]thiazole
SMILESC=C1NCc2nc(C(C)C)sc21
InChIInChI=1S/C9H12N2S/c1-5(2)9-11-7-4-10-6(3)8(7)12-9/h5,10H,3-4H2,1-2H3
InChIKeyNJCVCPJKVPMZCY-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.34
Rot. Bonds1

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

6-methylidene-2-propan-2-yl-4,5-dihydropyrrolo[3,4-d][1,3]thiazole (PubChem CID 166823368) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 6-methylidene-2-propan-2-yl-4,5-dihydropyrrolo[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name6-methylidene-2-propan-2-yl-4,5-dihydropyrrolo[3,4-d][1,3]thiazole
PubChem CID166823368
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name6-methylidene-2-propan-2-yl-4,5-dihydropyrrolo[3,4-d][1,3]thiazole
SMILESC=C1NCc2nc(C(C)C)sc21
InChIInChI=1S/C9H12N2S/c1-5(2)9-11-7-4-10-6(3)8(7)12-9/h5,10H,3-4H2,1-2H3
InChIKeyNJCVCPJKVPMZCY-UHFFFAOYSA-N
XLogP2.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4H,5H,6H-pyrrolo(3,4-d)(1,3)thiazole dihydrobromide
CID 126802098
2-Methyl-5,6-dihydro-4H-pyrrolo[3,4-d]thiazole
CID 15231191
2-(4-fluorocyclohexa-1,3-dien-1-yl)-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole
CID 138659538
2,4-Dimethyl-5-(1-pyrrolidinylvinyl)-1,3-thiazole
CID 18511235
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethenamine
CID 21131876
2-Methyl-5,6-dihydro-4H-pyrrolo[3,4-d]thiazole hydrobromide
CID 45480213
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethenamine
CID 68073330
2-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole
CID 83682035
2-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole
CID 83682697
2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole
CID 83683994
5-Methyl-2-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
CID 90267856
2-Propan-2-yl-5-sulfanyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
CID 123922711

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-2-propan-2-yl-4,5-dihydropyrrolo[3,4-d][1,3]thiazole?
The IUPAC name of 6-methylidene-2-propan-2-yl-4,5-dihydropyrrolo[3,4-d][1,3]thiazole (CID 166823368) is 6-methylidene-2-propan-2-yl-4,5-dihydropyrrolo[3,4-d][1,3]thiazole.
What is the SMILES notation for 6-methylidene-2-propan-2-yl-4,5-dihydropyrrolo[3,4-d][1,3]thiazole?
The canonical SMILES for 6-methylidene-2-propan-2-yl-4,5-dihydropyrrolo[3,4-d][1,3]thiazole is C=C1NCc2nc(C(C)C)sc21.
What is the InChIKey of 6-methylidene-2-propan-2-yl-4,5-dihydropyrrolo[3,4-d][1,3]thiazole?
The InChIKey is NJCVCPJKVPMZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-5(2)9-11-7-4-10-6(3)8(7)12-9/h5,10H,3-4H2,1-2H3.
What are the key properties of 6-methylidene-2-propan-2-yl-4,5-dihydropyrrolo[3,4-d][1,3]thiazole?
6-methylidene-2-propan-2-yl-4,5-dihydropyrrolo[3,4-d][1,3]thiazole has a molecular weight of 180.28 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-2-propan-2-yl-4,5-dihydropyrrolo[3,4-d][1,3]thiazole is sourced from PubChem (CID 166823368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).