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

C14H19N3OS2 — CID 81261598

IUPAC1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnc(-c2cc3c(s2)CCSC3)o1
InChIInChI=1S/C14H19N3OS2/c1-3-10(15-4-2)13-16-17-14(18-13)12-7-9-8-19-6-5-11(9)20-12/h7,10,15H,3-6,8H2,1-2H3
InChIKeyQBAPPFYGMKZHRN-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.65
Rot. Bonds5

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

1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (PubChem CID 81261598) has the molecular formula C14H19N3OS2 and a molecular weight of 309.46 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-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
PubChem CID81261598
Molecular FormulaC14H19N3OS2
Molecular Weight309.46 g/mol
Exact Mass309.10
IUPAC Name1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnc(-c2cc3c(s2)CCSC3)o1
InChIInChI=1S/C14H19N3OS2/c1-3-10(15-4-2)13-16-17-14(18-13)12-7-9-8-19-6-5-11(9)20-12/h7,10,15H,3-6,8H2,1-2H3
InChIKeyQBAPPFYGMKZHRN-UHFFFAOYSA-N
XLogP3.65
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.65
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-ethylpropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-1-phenyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 78790965
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CID 17436506
2-[(2-Phenylpyrrolidin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 133792026
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-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 71720810
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
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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-ethylpropan-1-amine?
The IUPAC name of 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (CID 81261598) is 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine.
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-ethylpropan-1-amine?
The canonical SMILES for 1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine is CCNC(CC)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-ethylpropan-1-amine?
The InChIKey is QBAPPFYGMKZHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS2/c1-3-10(15-4-2)13-16-17-14(18-13)12-7-9-8-19-6-5-11(9)20-12/h7,10,15H,3-6,8H2,1-2H3.
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-ethylpropan-1-amine?
1-[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine has a molecular weight of 309.46 g/mol, XLogP of 3.65, 5 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-ethylpropan-1-amine is sourced from PubChem (CID 81261598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).