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

C16H19N3OS2 — CID 56819262

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2c(s1)CCC2)N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C16H19N3OS2/c20-16(15-8-12-2-1-3-14(12)22-15)19-6-4-18(5-7-19)9-13-10-21-11-17-13/h8,10-11H,1-7,9H2
InChIKeyBVTQFSBDNONRQF-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.65
Rot. Bonds3

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

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 56819262) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID56819262
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2c(s1)CCC2)N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C16H19N3OS2/c20-16(15-8-12-2-1-3-14(12)22-15)19-6-4-18(5-7-19)9-13-10-21-11-17-13/h8,10-11H,1-7,9H2
InChIKeyBVTQFSBDNONRQF-UHFFFAOYSA-N
XLogP2.65
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[4-(pyridin-2-ylmethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 19616069
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226250
(4-benzylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685910
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyrrolidin-1-yl)methanone
CID 60644343
2-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetic acid
CID 43521458
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110878490
[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 19616001
1-pyrrolidin-1-yl-2-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 31428014
[4-(furan-2-ylmethyl)piperazin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 17249357
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 90484147
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone;hydrochloride
CID 45479147
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(1,3-thiazol-4-yl)methanone
CID 130908674

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone (CID 56819262) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone is O=C(c1cc2c(s1)CCC2)N1CCN(Cc2cscn2)CC1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is BVTQFSBDNONRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS2/c20-16(15-8-12-2-1-3-14(12)22-15)19-6-4-18(5-7-19)9-13-10-21-11-17-13/h8,10-11H,1-7,9H2.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 333.48 g/mol, XLogP of 2.65, 3 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-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56819262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).