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

C11H17N3S — CID 96605170

IUPAC5-methyl-2-piperidin-4-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
SMILESCN1Cc2nc(C3CCNCC3)sc2C1
InChIInChI=1S/C11H17N3S/c1-14-6-9-10(7-14)15-11(13-9)8-2-4-12-5-3-8/h8,12H,2-7H2,1H3
InChIKeySQVTVPLSKMOEQU-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.56
Rot. Bonds1

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

5-methyl-2-piperidin-4-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole (PubChem CID 96605170) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 5-methyl-2-piperidin-4-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name5-methyl-2-piperidin-4-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
PubChem CID96605170
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name5-methyl-2-piperidin-4-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole
SMILESCN1Cc2nc(C3CCNCC3)sc2C1
InChIInChI=1S/C11H17N3S/c1-14-6-9-10(7-14)15-11(13-9)8-2-4-12-5-3-8/h8,12H,2-7H2,1H3
InChIKeySQVTVPLSKMOEQU-UHFFFAOYSA-N
XLogP1.56
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-piperidin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
CID 19969929
2-(oxan-4-yl)-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;hydrobromide
CID 162325589
4,4-dimethyl-2-piperidin-4-yl-6,7-dihydro-5H-1,3-benzothiazole
CID 79836609
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 112681683
2-cyclohexyl-4-methyl-5-piperidin-4-yl-1,3-thiazole
CID 116885152
4-methyl-2-piperidin-4-yl-1,3-thiazole
CID 23404938
4-(1-methylpiperidin-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965401
4,5-dimethyl-2-piperidin-4-yl-1,3-benzothiazole
CID 82373398
2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885085
2-cyclopropyl-6-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole
CID 82374899
5-methyl-2-piperidin-4-yl-4,6,7,8-tetrahydrothieno[3,2-c]azepine
CID 82382650
5-methyl-2-piperidin-4-yl-1,3-benzothiazol-6-amine
CID 82383726

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperidin-4-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
The IUPAC name of 5-methyl-2-piperidin-4-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole (CID 96605170) is 5-methyl-2-piperidin-4-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole.
What is the SMILES notation for 5-methyl-2-piperidin-4-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
The canonical SMILES for 5-methyl-2-piperidin-4-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole is CN1Cc2nc(C3CCNCC3)sc2C1.
What is the InChIKey of 5-methyl-2-piperidin-4-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
The InChIKey is SQVTVPLSKMOEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-14-6-9-10(7-14)15-11(13-9)8-2-4-12-5-3-8/h8,12H,2-7H2,1H3.
What are the key properties of 5-methyl-2-piperidin-4-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole?
5-methyl-2-piperidin-4-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole has a molecular weight of 223.34 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperidin-4-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole is sourced from PubChem (CID 96605170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).