(5-chlorothiophen-2-yl)-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone

C16H17ClN4OS — CID 53192944

IUPAC(5-chlorothiophen-2-yl)-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C16H17ClN4OS/c17-14-5-4-13(23-14)16(22)21-8-6-20(7-9-21)15-11-2-1-3-12(11)18-10-19-15/h4-5,10H,1-3,6-9H2
InChIKeyJECMZXQTHBZMGW-UHFFFAOYSA-N
MW348.86 g/mol
LogP2.64
Rot. Bonds2

About (5-chlorothiophen-2-yl)-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone

(5-chlorothiophen-2-yl)-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 53192944) has the molecular formula C16H17ClN4OS and a molecular weight of 348.86 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID53192944
Molecular FormulaC16H17ClN4OS
Molecular Weight348.86 g/mol
Exact Mass348.08
IUPAC Name(5-chlorothiophen-2-yl)-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C16H17ClN4OS/c17-14-5-4-13(23-14)16(22)21-8-6-20(7-9-21)15-11-2-1-3-12(11)18-10-19-15/h4-5,10H,1-3,6-9H2
InChIKeyJECMZXQTHBZMGW-UHFFFAOYSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 53192944) is (5-chlorothiophen-2-yl)-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CCN(c2ncnc3c2CCC3)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is JECMZXQTHBZMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4OS/c17-14-5-4-13(23-14)16(22)21-8-6-20(7-9-21)15-11-2-1-3-12(11)18-10-19-15/h4-5,10H,1-3,6-9H2.
What are the key properties of (5-chlorothiophen-2-yl)-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 348.86 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 53192944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).