[[(2R)-2-(2-hydroxypropan-2-yl)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienylcarbamoyl)-2H-1,3-thiazol-5-yl]sulfonimidoyl]carbamic acid

C19H24N4O5S2 — CID 146450725

IUPAC[[(2R)-2-(2-hydroxypropan-2-yl)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienylcarbamoyl)-2H-1,3-thiazol-5-yl]sulfonimidoyl]carbamic acid
SMILES[H]N=S(=O)(NC(=O)O)C1=CN(C(=O)Nc2c3c(cc4c2CC4)CCC3)[C@@H](C(C)(C)O)S1
InChIInChI=1S/C19H24N4O5S2/c1-19(2,27)16-23(9-14(29-16)30(20,28)22-18(25)26)17(24)21-15-12-5-3-4-10(12)8-11-6-7-13(11)15/h8-9,16,27H,3-7H2,1-2H3,(H,21,24)(H,25,26)(H2,20,22,28)/t16-,30?/m1/s1
InChIKeyVUXVXVOPUNMJSR-GZMMZOGISA-N
MW452.56 g/mol
LogP2.98
Rot. Bonds4

About [[(2R)-2-(2-hydroxypropan-2-yl)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienylcarbamoyl)-2H-1,3-thiazol-5-yl]sulfonimidoyl]carbamic acid

[[(2R)-2-(2-hydroxypropan-2-yl)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienylcarbamoyl)-2H-1,3-thiazol-5-yl]sulfonimidoyl]carbamic acid (PubChem CID 146450725) has the molecular formula C19H24N4O5S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is [[(2R)-2-(2-hydroxypropan-2-yl)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienylcarbamoyl)-2H-1,3-thiazol-5-yl]sulfonimidoyl]carbamic acid.

Molecular Properties

Compound Name[[(2R)-2-(2-hydroxypropan-2-yl)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienylcarbamoyl)-2H-1,3-thiazol-5-yl]sulfonimidoyl]carbamic acid
PubChem CID146450725
Molecular FormulaC19H24N4O5S2
Molecular Weight452.56 g/mol
Exact Mass452.12
IUPAC Name[[(2R)-2-(2-hydroxypropan-2-yl)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienylcarbamoyl)-2H-1,3-thiazol-5-yl]sulfonimidoyl]carbamic acid
SMILES[H]N=S(=O)(NC(=O)O)C1=CN(C(=O)Nc2c3c(cc4c2CC4)CCC3)[C@@H](C(C)(C)O)S1
InChIInChI=1S/C19H24N4O5S2/c1-19(2,27)16-23(9-14(29-16)30(20,28)22-18(25)26)17(24)21-15-12-5-3-4-10(12)8-11-6-7-13(11)15/h8-9,16,27H,3-7H2,1-2H3,(H,21,24)(H,25,26)(H2,20,22,28)/t16-,30?/m1/s1
InChIKeyVUXVXVOPUNMJSR-GZMMZOGISA-N
XLogP2.98
TPSA142.82 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze [[(2R)-2-(2-hydroxypropan-2-yl)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienylcarbamoyl)-2H-1,3-thiazol-5-yl]sulfonimidoyl]carbamic acid with MolForge

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Related Compounds

[[4-tert-butyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyl)-2-(2-hydroxypropan-2-yl)-2H-1,3-thiazol-5-yl]sulfonimidoyl]carbamic acid
CID 137443548
1-[amino-[2-(2-hydroxypropan-2-yl)-3-methyl-2H-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(1-oxo-3,6,7,8-tetrahydro-2H-as-indacen-4-yl)urea
CID 146611497
1-[[(E)-3-amino-3-methylbut-1-enyl]sulfonimidoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 156840085
5-[(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)sulfonimidoyl]-2-methylfuran-3-carboxylic acid
CID 170717716
1-(amino-methyl-oxo-λ6-sulfanylidene)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienyl)urea
CID 146603514
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-4-sulfamoylpiperidine-1-carboxamide
CID 166542156
1-[4-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)-5-methylfuran-2-yl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 134247768
methanamine;2-(5-sulfanylthiophen-3-yl)propan-2-ol;2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienylurea
CID 154662052
1-(cyclopropylmethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 154593397
tert-butyl N-[(E)-4-[(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)sulfonimidoyl]-2-methylbut-3-en-2-yl]carbamate
CID 156840065
1-[4-(2-hydroxypropan-2-yl)-5-methylfuran-2-yl]sulfonyl-3-(3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-yl)urea
CID 134258190
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-3-yl)methylsulfamoyl]urea
CID 146394255

Frequently Asked Questions

What is the IUPAC name of [[(2R)-2-(2-hydroxypropan-2-yl)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienylcarbamoyl)-2H-1,3-thiazol-5-yl]sulfonimidoyl]carbamic acid?
The IUPAC name of [[(2R)-2-(2-hydroxypropan-2-yl)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienylcarbamoyl)-2H-1,3-thiazol-5-yl]sulfonimidoyl]carbamic acid (CID 146450725) is [[(2R)-2-(2-hydroxypropan-2-yl)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienylcarbamoyl)-2H-1,3-thiazol-5-yl]sulfonimidoyl]carbamic acid.
What is the SMILES notation for [[(2R)-2-(2-hydroxypropan-2-yl)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienylcarbamoyl)-2H-1,3-thiazol-5-yl]sulfonimidoyl]carbamic acid?
The canonical SMILES for [[(2R)-2-(2-hydroxypropan-2-yl)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienylcarbamoyl)-2H-1,3-thiazol-5-yl]sulfonimidoyl]carbamic acid is [H]N=S(=O)(NC(=O)O)C1=CN(C(=O)Nc2c3c(cc4c2CC4)CCC3)[C@@H](C(C)(C)O)S1.
What is the InChIKey of [[(2R)-2-(2-hydroxypropan-2-yl)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienylcarbamoyl)-2H-1,3-thiazol-5-yl]sulfonimidoyl]carbamic acid?
The InChIKey is VUXVXVOPUNMJSR-GZMMZOGISA-N. The full InChI is InChI=1S/C19H24N4O5S2/c1-19(2,27)16-23(9-14(29-16)30(20,28)22-18(25)26)17(24)21-15-12-5-3-4-10(12)8-11-6-7-13(11)15/h8-9,16,27H,3-7H2,1-2H3,(H,21,24)(H,25,26)(H2,20,22,28)/t16-,30?/m1/s1.
What are the key properties of [[(2R)-2-(2-hydroxypropan-2-yl)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienylcarbamoyl)-2H-1,3-thiazol-5-yl]sulfonimidoyl]carbamic acid?
[[(2R)-2-(2-hydroxypropan-2-yl)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienylcarbamoyl)-2H-1,3-thiazol-5-yl]sulfonimidoyl]carbamic acid has a molecular weight of 452.56 g/mol, XLogP of 2.98, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R)-2-(2-hydroxypropan-2-yl)-3-(2-tricyclo[6.3.0.03,6]undeca-1,3(6),7-trienylcarbamoyl)-2H-1,3-thiazol-5-yl]sulfonimidoyl]carbamic acid is sourced from PubChem (CID 146450725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).