6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(1-methylimidazol-2-yl)methanamine

C12H15N3S2 — CID 81261856

IUPAC6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(1-methylimidazol-2-yl)methanamine
SMILESCn1ccnc1C(N)c1cc2c(s1)CCSC2
InChIInChI=1S/C12H15N3S2/c1-15-4-3-14-12(15)11(13)10-6-8-7-16-5-2-9(8)17-10/h3-4,6,11H,2,5,7,13H2,1H3
InChIKeyDPJAZMAEJVKCDR-UHFFFAOYSA-N
MW265.41 g/mol
LogP2.32
Rot. Bonds2

About 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(1-methylimidazol-2-yl)methanamine

6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(1-methylimidazol-2-yl)methanamine (PubChem CID 81261856) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(1-methylimidazol-2-yl)methanamine
PubChem CID81261856
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(1-methylimidazol-2-yl)methanamine
SMILESCn1ccnc1C(N)c1cc2c(s1)CCSC2
InChIInChI=1S/C12H15N3S2/c1-15-4-3-14-12(15)11(13)10-6-8-7-16-5-2-9(8)17-10/h3-4,6,11H,2,5,7,13H2,1H3
InChIKeyDPJAZMAEJVKCDR-UHFFFAOYSA-N
XLogP2.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(2,4-dimethylphenyl)methanamine
CID 81261720
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 81261981
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-methylthiophen-2-yl)methanamine
CID 81260728
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 105042185
[1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2,2-dimethylpropyl]hydrazine
CID 105305244
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784450
2,3-dihydrofuran-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 102653234
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-methylhexan-1-amine
CID 115845468
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-ethylphenyl)methanamine
CID 105018676
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-ethylpentan-1-amine
CID 105028207
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316345
[1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103025947

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(1-methylimidazol-2-yl)methanamine (CID 81261856) is 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(1-methylimidazol-2-yl)methanamine is Cn1ccnc1C(N)c1cc2c(s1)CCSC2.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(1-methylimidazol-2-yl)methanamine?
The InChIKey is DPJAZMAEJVKCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-15-4-3-14-12(15)11(13)10-6-8-7-16-5-2-9(8)17-10/h3-4,6,11H,2,5,7,13H2,1H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(1-methylimidazol-2-yl)methanamine?
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(1-methylimidazol-2-yl)methanamine has a molecular weight of 265.41 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 81261856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).