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

C16H20N4S — CID 171335389

IUPAC2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESc1ccc(CN2CCN(c3nc4c(s3)CCC4)CC2)nc1
InChIInChI=1S/C16H20N4S/c1-2-7-17-13(4-1)12-19-8-10-20(11-9-19)16-18-14-5-3-6-15(14)21-16/h1-2,4,7H,3,5-6,8-12H2
InChIKeyIGQDHIYCJDGJGL-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.35
Rot. Bonds3

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

2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 171335389) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID171335389
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESc1ccc(CN2CCN(c3nc4c(s3)CCC4)CC2)nc1
InChIInChI=1S/C16H20N4S/c1-2-7-17-13(4-1)12-19-8-10-20(11-9-19)16-18-14-5-3-6-15(14)21-16/h1-2,4,7H,3,5-6,8-12H2
InChIKeyIGQDHIYCJDGJGL-UHFFFAOYSA-N
XLogP2.35
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 171335389) is 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is c1ccc(CN2CCN(c3nc4c(s3)CCC4)CC2)nc1.
What is the InChIKey of 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is IGQDHIYCJDGJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-2-7-17-13(4-1)12-19-8-10-20(11-9-19)16-18-14-5-3-6-15(14)21-16/h1-2,4,7H,3,5-6,8-12H2.
What are the key properties of 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 300.43 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 171335389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).