2-piperidin-1-yl-4-propan-2-yl-6H-pyrrolo[3,4-d][1,3]thiazole

C13H19N3S — CID 148949319

IUPAC2-piperidin-1-yl-4-propan-2-yl-6H-pyrrolo[3,4-d][1,3]thiazole
SMILESCC(C)C1=NCc2sc(N3CCCCC3)nc21
InChIInChI=1S/C13H19N3S/c1-9(2)11-12-10(8-14-11)17-13(15-12)16-6-4-3-5-7-16/h9H,3-8H2,1-2H3
InChIKeyPPNUDUCEEUQXDT-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.09
Rot. Bonds2

About 2-piperidin-1-yl-4-propan-2-yl-6H-pyrrolo[3,4-d][1,3]thiazole

2-piperidin-1-yl-4-propan-2-yl-6H-pyrrolo[3,4-d][1,3]thiazole (PubChem CID 148949319) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-propan-2-yl-6H-pyrrolo[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name2-piperidin-1-yl-4-propan-2-yl-6H-pyrrolo[3,4-d][1,3]thiazole
PubChem CID148949319
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name2-piperidin-1-yl-4-propan-2-yl-6H-pyrrolo[3,4-d][1,3]thiazole
SMILESCC(C)C1=NCc2sc(N3CCCCC3)nc21
InChIInChI=1S/C13H19N3S/c1-9(2)11-12-10(8-14-11)17-13(15-12)16-6-4-3-5-7-16/h9H,3-8H2,1-2H3
InChIKeyPPNUDUCEEUQXDT-UHFFFAOYSA-N
XLogP3.09
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N,4-dipropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117229
5-(aminomethyl)-N-ethyl-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117892
N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767142
[4-Propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 62970041
5-(aminomethyl)-4-cyclopropyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 63915800
4-cyclopropyl-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 63915994
5-(aminomethyl)-4-cyclopropyl-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 63915996
4-cyclopropyl-N-ethyl-5-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 63916190
4-cyclopropyl-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 63916191
4-cyclopropyl-N-ethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 63916192
[4-Cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 63916439
5-(aminomethyl)-4-cyclopropyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 63916976

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-4-propan-2-yl-6H-pyrrolo[3,4-d][1,3]thiazole?
The IUPAC name of 2-piperidin-1-yl-4-propan-2-yl-6H-pyrrolo[3,4-d][1,3]thiazole (CID 148949319) is 2-piperidin-1-yl-4-propan-2-yl-6H-pyrrolo[3,4-d][1,3]thiazole.
What is the SMILES notation for 2-piperidin-1-yl-4-propan-2-yl-6H-pyrrolo[3,4-d][1,3]thiazole?
The canonical SMILES for 2-piperidin-1-yl-4-propan-2-yl-6H-pyrrolo[3,4-d][1,3]thiazole is CC(C)C1=NCc2sc(N3CCCCC3)nc21.
What is the InChIKey of 2-piperidin-1-yl-4-propan-2-yl-6H-pyrrolo[3,4-d][1,3]thiazole?
The InChIKey is PPNUDUCEEUQXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-9(2)11-12-10(8-14-11)17-13(15-12)16-6-4-3-5-7-16/h9H,3-8H2,1-2H3.
What are the key properties of 2-piperidin-1-yl-4-propan-2-yl-6H-pyrrolo[3,4-d][1,3]thiazole?
2-piperidin-1-yl-4-propan-2-yl-6H-pyrrolo[3,4-d][1,3]thiazole has a molecular weight of 249.38 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-4-propan-2-yl-6H-pyrrolo[3,4-d][1,3]thiazole is sourced from PubChem (CID 148949319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).