(4-chlorothieno[2,3-b]thiophen-5-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

C14H17ClN2O2S2 — CID 56779864

IUPAC(4-chlorothieno[2,3-b]thiophen-5-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)c2sc3sccc3c2Cl)CC1
InChIInChI=1S/C14H17ClN2O2S2/c1-9(18)8-16-3-5-17(6-4-16)13(19)12-11(15)10-2-7-20-14(10)21-12/h2,7,9,18H,3-6,8H2,1H3
InChIKeyLLGGDBXHSKZWOT-UHFFFAOYSA-N
MW344.89 g/mol
LogP2.75
Rot. Bonds3

About (4-chlorothieno[2,3-b]thiophen-5-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

(4-chlorothieno[2,3-b]thiophen-5-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (PubChem CID 56779864) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is (4-chlorothieno[2,3-b]thiophen-5-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorothieno[2,3-b]thiophen-5-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
PubChem CID56779864
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC Name(4-chlorothieno[2,3-b]thiophen-5-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)c2sc3sccc3c2Cl)CC1
InChIInChI=1S/C14H17ClN2O2S2/c1-9(18)8-16-3-5-17(6-4-16)13(19)12-11(15)10-2-7-20-14(10)21-12/h2,7,9,18H,3-6,8H2,1H3
InChIKeyLLGGDBXHSKZWOT-UHFFFAOYSA-N
XLogP2.75
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorothieno[2,3-b]thiophen-5-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95606898
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170
(2,5-dichlorophenyl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95337497
(3-chloro-1H-indol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95607083
(5-chloro-2-fluorophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95351618
(4-chloro-1-methylpyrrol-2-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95353536
(4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95326223
(2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779839
(3-chloro-1-benzothiophen-2-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19297279
(5-chlorothiophen-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134014867
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95326170
3-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
CID 95607220

Frequently Asked Questions

What is the IUPAC name of (4-chlorothieno[2,3-b]thiophen-5-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chlorothieno[2,3-b]thiophen-5-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (CID 56779864) is (4-chlorothieno[2,3-b]thiophen-5-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorothieno[2,3-b]thiophen-5-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorothieno[2,3-b]thiophen-5-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is CC(O)CN1CCN(C(=O)c2sc3sccc3c2Cl)CC1.
What is the InChIKey of (4-chlorothieno[2,3-b]thiophen-5-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The InChIKey is LLGGDBXHSKZWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-9(18)8-16-3-5-17(6-4-16)13(19)12-11(15)10-2-7-20-14(10)21-12/h2,7,9,18H,3-6,8H2,1H3.
What are the key properties of (4-chlorothieno[2,3-b]thiophen-5-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
(4-chlorothieno[2,3-b]thiophen-5-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone has a molecular weight of 344.89 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorothieno[2,3-b]thiophen-5-yl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56779864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).