5-(aminosulfonimidoyl)-N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)-1,3-thiazole-2-carboxamide

C14H14N4O2S2 — CID 153465016

IUPAC5-(aminosulfonimidoyl)-N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)-1,3-thiazole-2-carboxamide
SMILES[H]N=S(N)(=O)c1cnc(C(=O)Nc2c3c(cc4c2CC4)CC3)s1
InChIInChI=1S/C14H14N4O2S2/c15-22(16,20)11-6-17-14(21-11)13(19)18-12-9-3-1-7(9)5-8-2-4-10(8)12/h5-6H,1-4H2,(H,18,19)(H3,15,16,20)
InChIKeyDTDZXRKKZJGSDW-UHFFFAOYSA-N
MW334.43 g/mol
LogP1.87
Rot. Bonds3

About 5-(aminosulfonimidoyl)-N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)-1,3-thiazole-2-carboxamide

5-(aminosulfonimidoyl)-N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)-1,3-thiazole-2-carboxamide (PubChem CID 153465016) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 5-(aminosulfonimidoyl)-N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(aminosulfonimidoyl)-N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)-1,3-thiazole-2-carboxamide
PubChem CID153465016
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC Name5-(aminosulfonimidoyl)-N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)-1,3-thiazole-2-carboxamide
SMILES[H]N=S(N)(=O)c1cnc(C(=O)Nc2c3c(cc4c2CC4)CC3)s1
InChIInChI=1S/C14H14N4O2S2/c15-22(16,20)11-6-17-14(21-11)13(19)18-12-9-3-1-7(9)5-8-2-4-10(8)12/h5-6H,1-4H2,(H,18,19)(H3,15,16,20)
InChIKeyDTDZXRKKZJGSDW-UHFFFAOYSA-N
XLogP1.87
TPSA108.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(aminosulfonimidoyl)-1,3-thiazol-2-yl]ethanone
CID 146618917
1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)urea
CID 137453275
1-[amino-(2-tert-butyl-1,3-thiazol-5-yl)-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 167348293
1-(amino-methyl-oxo-λ6-sulfanylidene)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienyl)urea
CID 146603514
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[2-[2-hydroxy-1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-yl]-1,3-thiazol-5-yl]sulfonimidoyl]urea
CID 146611310
1-[[(E)-3-amino-3-methylbut-1-enyl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 156840085
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 175748530
1-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-8-yl)urea
CID 137453111
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-sulfamoylprop-2-enamide
CID 154997378
1-(5-aminosulfanyl-1,3-thiazol-2-yl)ethanone;1,2,3,5,6,7-hexahydro-s-indacen-4-ylurea
CID 142522787
N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-2-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienyl)acetamide
CID 146570552
7-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(hydroxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide
CID 175814500

Frequently Asked Questions

What is the IUPAC name of 5-(aminosulfonimidoyl)-N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(aminosulfonimidoyl)-N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)-1,3-thiazole-2-carboxamide (CID 153465016) is 5-(aminosulfonimidoyl)-N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(aminosulfonimidoyl)-N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(aminosulfonimidoyl)-N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)-1,3-thiazole-2-carboxamide is [H]N=S(N)(=O)c1cnc(C(=O)Nc2c3c(cc4c2CC4)CC3)s1.
What is the InChIKey of 5-(aminosulfonimidoyl)-N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)-1,3-thiazole-2-carboxamide?
The InChIKey is DTDZXRKKZJGSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c15-22(16,20)11-6-17-14(21-11)13(19)18-12-9-3-1-7(9)5-8-2-4-10(8)12/h5-6H,1-4H2,(H,18,19)(H3,15,16,20).
What are the key properties of 5-(aminosulfonimidoyl)-N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)-1,3-thiazole-2-carboxamide?
5-(aminosulfonimidoyl)-N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)-1,3-thiazole-2-carboxamide has a molecular weight of 334.43 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminosulfonimidoyl)-N-(2-tricyclo[6.2.0.03,6]deca-1(8),2,6-trienyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 153465016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).