5,5-dioxo-N-propyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine

C9H14N2O2S2 — CID 62941809

IUPAC5,5-dioxo-N-propyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine
SMILESCCCNc1nc2c(s1)CS(=O)(=O)CC2
InChIInChI=1S/C9H14N2O2S2/c1-2-4-10-9-11-7-3-5-15(12,13)6-8(7)14-9/h2-6H2,1H3,(H,10,11)
InChIKeyPYOVDNWQAQVLSF-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.44
Rot. Bonds3

About 5,5-dioxo-N-propyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine

5,5-dioxo-N-propyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine (PubChem CID 62941809) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5,5-dioxo-N-propyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine.

Molecular Properties

Compound Name5,5-dioxo-N-propyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine
PubChem CID62941809
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name5,5-dioxo-N-propyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine
SMILESCCCNc1nc2c(s1)CS(=O)(=O)CC2
InChIInChI=1S/C9H14N2O2S2/c1-2-4-10-9-11-7-3-5-15(12,13)6-8(7)14-9/h2-6H2,1H3,(H,10,11)
InChIKeyPYOVDNWQAQVLSF-UHFFFAOYSA-N
XLogP1.44
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5-dioxo-N-propyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine?
The IUPAC name of 5,5-dioxo-N-propyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine (CID 62941809) is 5,5-dioxo-N-propyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine.
What is the SMILES notation for 5,5-dioxo-N-propyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine?
The canonical SMILES for 5,5-dioxo-N-propyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine is CCCNc1nc2c(s1)CS(=O)(=O)CC2.
What is the InChIKey of 5,5-dioxo-N-propyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine?
The InChIKey is PYOVDNWQAQVLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-2-4-10-9-11-7-3-5-15(12,13)6-8(7)14-9/h2-6H2,1H3,(H,10,11).
What are the key properties of 5,5-dioxo-N-propyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine?
5,5-dioxo-N-propyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine has a molecular weight of 246.36 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dioxo-N-propyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine is sourced from PubChem (CID 62941809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).