(6S)-6-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

C14H18N2S3 — CID 104585069

IUPAC(6S)-6-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCC(CNC1C[C@H](C)Sc2sccc21)c1nccs1
InChIInChI=1S/C14H18N2S3/c1-9(13-15-4-6-17-13)8-16-12-7-10(2)19-14-11(12)3-5-18-14/h3-6,9-10,12,16H,7-8H2,1-2H3/t9?,10-,12?/m0/s1
InChIKeyHYRMFOVHYWXOHE-YZRBJQDESA-N
MW310.51 g/mol
LogP4.52
Rot. Bonds4

About (6S)-6-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

(6S)-6-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 104585069) has the molecular formula C14H18N2S3 and a molecular weight of 310.51 g/mol. Its IUPAC name is (6S)-6-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound Name(6S)-6-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
PubChem CID104585069
Molecular FormulaC14H18N2S3
Molecular Weight310.51 g/mol
Exact Mass310.06
IUPAC Name(6S)-6-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCC(CNC1C[C@H](C)Sc2sccc21)c1nccs1
InChIInChI=1S/C14H18N2S3/c1-9(13-15-4-6-17-13)8-16-12-7-10(2)19-14-11(12)3-5-18-14/h3-6,9-10,12,16H,7-8H2,1-2H3/t9?,10-,12?/m0/s1
InChIKeyHYRMFOVHYWXOHE-YZRBJQDESA-N
XLogP4.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of (6S)-6-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (CID 104585069) is (6S)-6-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for (6S)-6-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for (6S)-6-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is CC(CNC1C[C@H](C)Sc2sccc21)c1nccs1.
What is the InChIKey of (6S)-6-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is HYRMFOVHYWXOHE-YZRBJQDESA-N. The full InChI is InChI=1S/C14H18N2S3/c1-9(13-15-4-6-17-13)8-16-12-7-10(2)19-14-11(12)3-5-18-14/h3-6,9-10,12,16H,7-8H2,1-2H3/t9?,10-,12?/m0/s1.
What are the key properties of (6S)-6-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
(6S)-6-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 310.51 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-N-[2-(1,3-thiazol-2-yl)propyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 104585069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).