6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone

C22H24N4O3S — CID 86888001

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccccc1-c1noc(CN2CCN(C(=O)c3cc4c(s3)CCOC4)CC2)n1
InChIInChI=1S/C22H24N4O3S/c1-15-4-2-3-5-17(15)21-23-20(29-24-21)13-25-7-9-26(10-8-25)22(27)19-12-16-14-28-11-6-18(16)30-19/h2-5,12H,6-11,13-14H2,1H3
InChIKeyBRRPRKVOCHYOSZ-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.14
Rot. Bonds4

About 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone

6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 86888001) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID86888001
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccccc1-c1noc(CN2CCN(C(=O)c3cc4c(s3)CCOC4)CC2)n1
InChIInChI=1S/C22H24N4O3S/c1-15-4-2-3-5-17(15)21-23-20(29-24-21)13-25-7-9-26(10-8-25)22(27)19-12-16-14-28-11-6-18(16)30-19/h2-5,12H,6-11,13-14H2,1H3
InChIKeyBRRPRKVOCHYOSZ-UHFFFAOYSA-N
XLogP3.14
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(3-iodophenyl)-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 39586517
methyl 2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetate
CID 34552390
[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)methanone
CID 86903571
3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 55853352
1-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenoxyethanone
CID 37088185
(6-chloroquinolin-8-yl)-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 55909156
4,5-dimethyl-2-[[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]phenol
CID 46443595
methyl 2-[3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]sulfanylacetate
CID 56568035
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl(piperazin-1-yl)methanone
CID 82511811
3-(2-methylphenyl)-5-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 31321073
4-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one
CID 55617778
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-1-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 55617886

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone (CID 86888001) is 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone is Cc1ccccc1-c1noc(CN2CCN(C(=O)c3cc4c(s3)CCOC4)CC2)n1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is BRRPRKVOCHYOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-15-4-2-3-5-17(15)21-23-20(29-24-21)13-25-7-9-26(10-8-25)22(27)19-12-16-14-28-11-6-18(16)30-19/h2-5,12H,6-11,13-14H2,1H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 424.53 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 86888001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).