1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine

C13H17N3OS2 — CID 81260885

IUPAC1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnc(-c2cc3c(s2)CCSC3)o1
InChIInChI=1S/C13H17N3OS2/c1-3-14-8(2)12-15-16-13(17-12)11-6-9-7-18-5-4-10(9)19-11/h6,8,14H,3-5,7H2,1-2H3
InChIKeyFPXQCSCJXARONE-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.26
Rot. Bonds4

About 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine

1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine (PubChem CID 81260885) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
PubChem CID81260885
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC Name1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1nnc(-c2cc3c(s2)CCSC3)o1
InChIInChI=1S/C13H17N3OS2/c1-3-14-8(2)12-15-16-13(17-12)11-6-9-7-18-5-4-10(9)19-11/h6,8,14H,3-5,7H2,1-2H3
InChIKeyFPXQCSCJXARONE-UHFFFAOYSA-N
XLogP3.26
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine with MolForge

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Related Compounds

N-methyl-1-phenyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 78790965
N-cyclopropyl-2-[[5-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 17436506
2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 71579574
2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 71579661
2-(3-Fluorophenyl)-2-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 71967813
2-fluoro-N-((5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)methyl)benzamide
CID 110322286
2,6-difluoro-N-((5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)methyl)benzamide
CID 162506097
[(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl][(thiophen-2-yl)methyl]amine
CID 1091728
(E)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-yl-3-thiophen-2-ylprop-2-enamide
CID 9110151
2-(5-{[4-Benzylpiperidyl]ethyl}-1,3,4-oxadiazol-2-yl)thiophene
CID 16273517
2-phenyl-5-[(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,3,4-oxadiazole
CID 16296162
5-phenyl-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 44116722

Frequently Asked Questions

What is the IUPAC name of 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine (CID 81260885) is 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine is CCNC(C)c1nnc(-c2cc3c(s2)CCSC3)o1.
What is the InChIKey of 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The InChIKey is FPXQCSCJXARONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-3-14-8(2)12-15-16-13(17-12)11-6-9-7-18-5-4-10(9)19-11/h6,8,14H,3-5,7H2,1-2H3.
What are the key properties of 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine has a molecular weight of 295.43 g/mol, XLogP of 3.26, 4 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]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 81260885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).