N-(2-fluorophenyl)-5,5-dioxo-N-propyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine

C14H17FN2O2S2 — CID 6623496

IUPACN-(2-fluorophenyl)-5,5-dioxo-N-propyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
SMILESCCCN(C1=NC2CS(=O)(=O)CC2S1)c1ccccc1F
InChIInChI=1S/C14H17FN2O2S2/c1-2-7-17(12-6-4-3-5-10(12)15)14-16-11-8-21(18,19)9-13(11)20-14/h3-6,11,13H,2,7-9H2,1H3
InChIKeyNMMHGXRBIWGBTM-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.31
Rot. Bonds3

About N-(2-fluorophenyl)-5,5-dioxo-N-propyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine

N-(2-fluorophenyl)-5,5-dioxo-N-propyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine (PubChem CID 6623496) has the molecular formula C14H17FN2O2S2 and a molecular weight of 328.43 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5,5-dioxo-N-propyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5,5-dioxo-N-propyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
PubChem CID6623496
Molecular FormulaC14H17FN2O2S2
Molecular Weight328.43 g/mol
Exact Mass328.07
IUPAC NameN-(2-fluorophenyl)-5,5-dioxo-N-propyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine
SMILESCCCN(C1=NC2CS(=O)(=O)CC2S1)c1ccccc1F
InChIInChI=1S/C14H17FN2O2S2/c1-2-7-17(12-6-4-3-5-10(12)15)14-16-11-8-21(18,19)9-13(11)20-14/h3-6,11,13H,2,7-9H2,1H3
InChIKeyNMMHGXRBIWGBTM-UHFFFAOYSA-N
XLogP2.31
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5,5-dioxo-N-propyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine?
The IUPAC name of N-(2-fluorophenyl)-5,5-dioxo-N-propyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine (CID 6623496) is N-(2-fluorophenyl)-5,5-dioxo-N-propyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine.
What is the SMILES notation for N-(2-fluorophenyl)-5,5-dioxo-N-propyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine?
The canonical SMILES for N-(2-fluorophenyl)-5,5-dioxo-N-propyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine is CCCN(C1=NC2CS(=O)(=O)CC2S1)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-5,5-dioxo-N-propyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine?
The InChIKey is NMMHGXRBIWGBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S2/c1-2-7-17(12-6-4-3-5-10(12)15)14-16-11-8-21(18,19)9-13(11)20-14/h3-6,11,13H,2,7-9H2,1H3.
What are the key properties of N-(2-fluorophenyl)-5,5-dioxo-N-propyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine?
N-(2-fluorophenyl)-5,5-dioxo-N-propyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine has a molecular weight of 328.43 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5,5-dioxo-N-propyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-amine is sourced from PubChem (CID 6623496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).