1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

C24H27N5OS — CID 42514879

IUPAC1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1cscn1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1
InChIInChI=1S/C24H27N5OS/c30-24(25-12-9-19-15-31-16-26-19)18-10-13-29(14-11-18)23-20-7-4-8-21(20)27-22(28-23)17-5-2-1-3-6-17/h1-3,5-6,15-16,18H,4,7-14H2,(H,25,30)
InChIKeyLBQRVVHERUKYJJ-UHFFFAOYSA-N
MW433.58 g/mol
LogP3.66
Rot. Bonds6

About 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 42514879) has the molecular formula C24H27N5OS and a molecular weight of 433.58 g/mol. Its IUPAC name is 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID42514879
Molecular FormulaC24H27N5OS
Molecular Weight433.58 g/mol
Exact Mass433.19
IUPAC Name1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1cscn1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1
InChIInChI=1S/C24H27N5OS/c30-24(25-12-9-19-15-31-16-26-19)18-10-13-29(14-11-18)23-20-7-4-8-21(20)27-22(28-23)17-5-2-1-3-6-17/h1-3,5-6,15-16,18H,4,7-14H2,(H,25,30)
InChIKeyLBQRVVHERUKYJJ-UHFFFAOYSA-N
XLogP3.66
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (CID 42514879) is 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is O=C(NCCc1cscn1)C1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1.
What is the InChIKey of 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is LBQRVVHERUKYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5OS/c30-24(25-12-9-19-15-31-16-26-19)18-10-13-29(14-11-18)23-20-7-4-8-21(20)27-22(28-23)17-5-2-1-3-6-17/h1-3,5-6,15-16,18H,4,7-14H2,(H,25,30).
What are the key properties of 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 42514879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).