1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

C14H17N3O2S — CID 120857310

IUPAC1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(-c3cc4c(s3)CCOC4)n2)CCCC1
InChIInChI=1S/C14H17N3O2S/c15-14(4-1-2-5-14)13-16-12(19-17-13)11-7-9-8-18-6-3-10(9)20-11/h7H,1-6,8,15H2
InChIKeySDODSKCELOYZNS-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.60
Rot. Bonds2

About 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine

1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (PubChem CID 120857310) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
PubChem CID120857310
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
SMILESNC1(c2noc(-c3cc4c(s3)CCOC4)n2)CCCC1
InChIInChI=1S/C14H17N3O2S/c15-14(4-1-2-5-14)13-16-12(19-17-13)11-7-9-8-18-6-3-10(9)20-11/h7H,1-6,8,15H2
InChIKeySDODSKCELOYZNS-UHFFFAOYSA-N
XLogP2.60
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine with MolForge

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Related Compounds

1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864613
1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855729
1-[5-(4,5-dimethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 65238308
1-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 80538961
1-[5-(1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61406799
1-[5-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853372
1-[5-(thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 65215428
1-[5-(5-methyl-4-nitrothiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855214
1-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860894
1-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)cyclopropan-1-amine
CID 84773729
1-[5-[5-methyl-4-(methylsulfonylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850910
1-[5-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864790

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The IUPAC name of 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine (CID 120857310) is 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine.
What is the SMILES notation for 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The canonical SMILES for 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is NC1(c2noc(-c3cc4c(s3)CCOC4)n2)CCCC1.
What is the InChIKey of 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
The InChIKey is SDODSKCELOYZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-14(4-1-2-5-14)13-16-12(19-17-13)11-7-9-8-18-6-3-10(9)20-11/h7H,1-6,8,15H2.
What are the key properties of 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine?
1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine has a molecular weight of 291.38 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine is sourced from PubChem (CID 120857310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).