5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C15H17N3OS2 — CID 39855862

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc2c(s1)CCC2)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H17N3OS2/c19-14(13-10-11-2-1-3-12(11)21-13)17-5-7-18(8-6-17)15-16-4-9-20-15/h4,9-10H,1-3,5-8H2
InChIKeyLUIUNXZDJYQWPO-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.66
Rot. Bonds2

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 39855862) has the molecular formula C15H17N3OS2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID39855862
Molecular FormulaC15H17N3OS2
Molecular Weight319.45 g/mol
Exact Mass319.08
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc2c(s1)CCC2)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H17N3OS2/c19-14(13-10-11-2-1-3-12(11)21-13)17-5-7-18(8-6-17)15-16-4-9-20-15/h4,9-10H,1-3,5-8H2
InChIKeyLUIUNXZDJYQWPO-UHFFFAOYSA-N
XLogP2.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyrrolidin-1-yl)methanone
CID 60644343
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9254705
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706890
1,3-thiazol-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 73439229
2-[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 86835587
[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 37439394
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226250
phenyl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 7792036
[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 37437952
(2,5-dichlorothiophen-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 51306337
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
CID 56819262
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 4827191

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 39855862) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is O=C(c1cc2c(s1)CCC2)N1CCN(c2nccs2)CC1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is LUIUNXZDJYQWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c19-14(13-10-11-2-1-3-12(11)21-13)17-5-7-18(8-6-17)15-16-4-9-20-15/h4,9-10H,1-3,5-8H2.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 319.45 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 39855862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).