2-(2-amino-4-pyridinyl)-1-(1,4-dithian-2-yl)ethanone

C11H14N2OS2 — CID 79971866

IUPAC2-(2-amino-4-pyridinyl)-1-(1,4-dithian-2-yl)ethanone
SMILESNc1cc(CC(=O)C2CSCCS2)ccn1
InChIInChI=1S/C11H14N2OS2/c12-11-6-8(1-2-13-11)5-9(14)10-7-15-3-4-16-10/h1-2,6,10H,3-5,7H2,(H2,12,13)
InChIKeyDNFBZKILHSSHGE-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.62
Rot. Bonds3

About 2-(2-amino-4-pyridinyl)-1-(1,4-dithian-2-yl)ethanone

2-(2-amino-4-pyridinyl)-1-(1,4-dithian-2-yl)ethanone (PubChem CID 79971866) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-(1,4-dithian-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-(1,4-dithian-2-yl)ethanone
PubChem CID79971866
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC Name2-(2-amino-4-pyridinyl)-1-(1,4-dithian-2-yl)ethanone
SMILESNc1cc(CC(=O)C2CSCCS2)ccn1
InChIInChI=1S/C11H14N2OS2/c12-11-6-8(1-2-13-11)5-9(14)10-7-15-3-4-16-10/h1-2,6,10H,3-5,7H2,(H2,12,13)
InChIKeyDNFBZKILHSSHGE-UHFFFAOYSA-N
XLogP1.62
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4-dithian-2-yl)-2-(4-iodophenyl)ethanone
CID 79970612
2-(2-amino-4-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanone
CID 65407228
2-(2-amino-4-pyridinyl)-1-piperidin-2-ylethanone
CID 116547813
2-(2-amino-4-pyridinyl)-1-pyrrolidin-2-ylethanone
CID 116547431
4-[2-(1,4-dithian-2-yl)-2-(methylamino)ethyl]pyridin-2-amine
CID 79966342
2-(2-bromophenyl)-1-(1,4-dithian-2-yl)ethanone
CID 79972243
2-(2-amino-4-pyridinyl)-1-piperidin-3-ylethanone
CID 116548022
1-(1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79972065
1-(1,4-dithian-2-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 79973600
4-amino-1-(2-amino-4-pyridinyl)pentan-2-one
CID 116555905
1-(2-amino-4-pyridinyl)-3-methylbut-3-en-2-one
CID 103446347
3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one
CID 79492824

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-(1,4-dithian-2-yl)ethanone?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-(1,4-dithian-2-yl)ethanone (CID 79971866) is 2-(2-amino-4-pyridinyl)-1-(1,4-dithian-2-yl)ethanone.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-(1,4-dithian-2-yl)ethanone?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-(1,4-dithian-2-yl)ethanone is Nc1cc(CC(=O)C2CSCCS2)ccn1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-(1,4-dithian-2-yl)ethanone?
The InChIKey is DNFBZKILHSSHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c12-11-6-8(1-2-13-11)5-9(14)10-7-15-3-4-16-10/h1-2,6,10H,3-5,7H2,(H2,12,13).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-(1,4-dithian-2-yl)ethanone?
2-(2-amino-4-pyridinyl)-1-(1,4-dithian-2-yl)ethanone has a molecular weight of 254.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-(1,4-dithian-2-yl)ethanone is sourced from PubChem (CID 79971866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).