1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine

C13H17N3S2 — CID 81260992

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine
SMILESCNC(Cc1ncc[nH]1)c1cc2c(s1)CCSC2
InChIInChI=1S/C13H17N3S2/c1-14-10(7-13-15-3-4-16-13)12-6-9-8-17-5-2-11(9)18-12/h3-4,6,10,14H,2,5,7-8H2,1H3,(H,15,16)
InChIKeyYPKGLCZLKUXLIR-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.76
Rot. Bonds4

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

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine (PubChem CID 81260992) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine
PubChem CID81260992
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine
SMILESCNC(Cc1ncc[nH]1)c1cc2c(s1)CCSC2
InChIInChI=1S/C13H17N3S2/c1-14-10(7-13-15-3-4-16-13)12-6-9-8-17-5-2-11(9)18-12/h3-4,6,10,14H,2,5,7-8H2,1H3,(H,15,16)
InChIKeyYPKGLCZLKUXLIR-UHFFFAOYSA-N
XLogP2.76
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81261123
1-(4,5-dibromothiophen-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 80536178
2-(3,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine
CID 81266733
N-[2-(1H-imidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]propan-1-amine
CID 43497966
2-(2,4-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylethanamine
CID 115839950
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 115822265
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997944
2-(1H-imidazol-2-yl)-N-methyl-1-(1H-pyrazol-5-yl)ethanamine
CID 82239716
N-[1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034645
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-ethyl-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842705
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014840
2-(1H-imidazol-2-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine
CID 43607987

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine (CID 81260992) is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine is CNC(Cc1ncc[nH]1)c1cc2c(s1)CCSC2.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine?
The InChIKey is YPKGLCZLKUXLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c1-14-10(7-13-15-3-4-16-13)12-6-9-8-17-5-2-11(9)18-12/h3-4,6,10,14H,2,5,7-8H2,1H3,(H,15,16).
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine?
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine has a molecular weight of 279.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1H-imidazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 81260992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).