2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

C18H24N6S — CID 165433014

IUPAC2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESc1nc(N2CCCC2)cc(N2CCN(c3nc4c(s3)CCC4)CC2)n1
InChIInChI=1S/C18H24N6S/c1-2-7-22(6-1)16-12-17(20-13-19-16)23-8-10-24(11-9-23)18-21-14-4-3-5-15(14)25-18/h12-13H,1-11H2
InChIKeyMFFRPHZRBHDNSH-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.35
Rot. Bonds3

About 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 165433014) has the molecular formula C18H24N6S and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID165433014
Molecular FormulaC18H24N6S
Molecular Weight356.50 g/mol
Exact Mass356.18
IUPAC Name2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESc1nc(N2CCCC2)cc(N2CCN(c3nc4c(s3)CCC4)CC2)n1
InChIInChI=1S/C18H24N6S/c1-2-7-22(6-1)16-12-17(20-13-19-16)23-8-10-24(11-9-23)18-21-14-4-3-5-15(14)25-18/h12-13H,1-11H2
InChIKeyMFFRPHZRBHDNSH-UHFFFAOYSA-N
XLogP2.35
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 165433014) is 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is c1nc(N2CCCC2)cc(N2CCN(c3nc4c(s3)CCC4)CC2)n1.
What is the InChIKey of 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is MFFRPHZRBHDNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6S/c1-2-7-22(6-1)16-12-17(20-13-19-16)23-8-10-24(11-9-23)18-21-14-4-3-5-15(14)25-18/h12-13H,1-11H2.
What are the key properties of 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 356.50 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 165433014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).