1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine

C14H16N2O2S2 — CID 63242476

IUPAC1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESO=S1(=O)CCC(NCCc2nccs2)c2ccccc21
InChIInChI=1S/C14H16N2O2S2/c17-20(18)10-6-12(11-3-1-2-4-13(11)20)15-7-5-14-16-8-9-19-14/h1-4,8-9,12,15H,5-7,10H2
InChIKeyVAQORINXNOQNCP-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.19
Rot. Bonds4

About 1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine

1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 63242476) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID63242476
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESO=S1(=O)CCC(NCCc2nccs2)c2ccccc21
InChIInChI=1S/C14H16N2O2S2/c17-20(18)10-6-12(11-3-1-2-4-13(11)20)15-7-5-14-16-8-9-19-14/h1-4,8-9,12,15H,5-7,10H2
InChIKeyVAQORINXNOQNCP-UHFFFAOYSA-N
XLogP2.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 63242476) is 1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine is O=S1(=O)CCC(NCCc2nccs2)c2ccccc21.
What is the InChIKey of 1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is VAQORINXNOQNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c17-20(18)10-6-12(11-3-1-2-4-13(11)20)15-7-5-14-16-8-9-19-14/h1-4,8-9,12,15H,5-7,10H2.
What are the key properties of 1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 308.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 63242476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).