2-methyl-6-piperazin-1-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

C11H17N3S — CID 83891384

IUPAC2-methyl-6-piperazin-1-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCc1nc2c(s1)C(N1CCNCC1)CC2
InChIInChI=1S/C11H17N3S/c1-8-13-9-2-3-10(11(9)15-8)14-6-4-12-5-7-14/h10,12H,2-7H2,1H3
InChIKeyNVSALEBMEAEEEJ-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.34
Rot. Bonds1

About 2-methyl-6-piperazin-1-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

2-methyl-6-piperazin-1-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 83891384) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-methyl-6-piperazin-1-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-methyl-6-piperazin-1-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID83891384
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2-methyl-6-piperazin-1-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCc1nc2c(s1)C(N1CCNCC1)CC2
InChIInChI=1S/C11H17N3S/c1-8-13-9-2-3-10(11(9)15-8)14-6-4-12-5-7-14/h10,12H,2-7H2,1H3
InChIKeyNVSALEBMEAEEEJ-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-piperazin-1-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2-methyl-6-piperazin-1-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 83891384) is 2-methyl-6-piperazin-1-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-methyl-6-piperazin-1-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-methyl-6-piperazin-1-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is Cc1nc2c(s1)C(N1CCNCC1)CC2.
What is the InChIKey of 2-methyl-6-piperazin-1-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is NVSALEBMEAEEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-8-13-9-2-3-10(11(9)15-8)14-6-4-12-5-7-14/h10,12H,2-7H2,1H3.
What are the key properties of 2-methyl-6-piperazin-1-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
2-methyl-6-piperazin-1-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 223.34 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-piperazin-1-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 83891384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).