[4-(2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

C19H20N2O3S2 — CID 20913238

IUPAC[4-(2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1sc2c(c1C)CSC(C(=O)N1CCN(C(=O)c3ccco3)CC1)=C2
InChIInChI=1S/C19H20N2O3S2/c1-12-13(2)26-16-10-17(25-11-14(12)16)19(23)21-7-5-20(6-8-21)18(22)15-4-3-9-24-15/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyCGJDEBHNLVSRCB-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.53
Rot. Bonds2

About [4-(2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 20913238) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is [4-(2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID20913238
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name[4-(2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1sc2c(c1C)CSC(C(=O)N1CCN(C(=O)c3ccco3)CC1)=C2
InChIInChI=1S/C19H20N2O3S2/c1-12-13(2)26-16-10-17(25-11-14(12)16)19(23)21-7-5-20(6-8-21)18(22)15-4-3-9-24-15/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyCGJDEBHNLVSRCB-UHFFFAOYSA-N
XLogP3.53
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 110854793
furan-2-yl-[4-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 1466660
furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982
furan-2-yl-[4-(3,4,7-trimethyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 131940830
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 60656601
2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 45361885
[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911129
furan-2-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 110664567
furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53117750
furan-2-yl-[4-(3-methyl-1,2-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 71689981
[4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110854718

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 20913238) is [4-(2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is Cc1sc2c(c1C)CSC(C(=O)N1CCN(C(=O)c3ccco3)CC1)=C2.
What is the InChIKey of [4-(2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is CGJDEBHNLVSRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-12-13(2)26-16-10-17(25-11-14(12)16)19(23)21-7-5-20(6-8-21)18(22)15-4-3-9-24-15/h3-4,9-10H,5-8,11H2,1-2H3.
What are the key properties of [4-(2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 388.51 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethyl-4H-thieno[3,2-c]thiopyran-6-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 20913238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).