2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinamide;(7-oxo-2,3,5,6-tetrahydro-1H-s-indacen-4-yl)urea

C19H24N4O4S2 — CID 142522743

IUPAC2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinamide;(7-oxo-2,3,5,6-tetrahydro-1H-s-indacen-4-yl)urea
SMILESCC(C)(O)c1ncc(S(N)=O)s1.NC(=O)Nc1c2c(cc3c1CCC3=O)CCC2
InChIInChI=1S/C13H14N2O2.C6H10N2O2S2/c14-13(17)15-12-8-3-1-2-7(8)6-10-9(12)4-5-11(10)16;1-6(2,9)5-8-3-4(11-5)12(7)10/h6H,1-5H2,(H3,14,15,17);3,9H,7H2,1-2H3
InChIKeyTVXUSKNKDAZTAL-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.15
Rot. Bonds3

About 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinamide;(7-oxo-2,3,5,6-tetrahydro-1H-s-indacen-4-yl)urea

2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinamide;(7-oxo-2,3,5,6-tetrahydro-1H-s-indacen-4-yl)urea (PubChem CID 142522743) has the molecular formula C19H24N4O4S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinamide;(7-oxo-2,3,5,6-tetrahydro-1H-s-indacen-4-yl)urea.

Molecular Properties

Compound Name2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinamide;(7-oxo-2,3,5,6-tetrahydro-1H-s-indacen-4-yl)urea
PubChem CID142522743
Molecular FormulaC19H24N4O4S2
Molecular Weight436.56 g/mol
Exact Mass436.12
IUPAC Name2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinamide;(7-oxo-2,3,5,6-tetrahydro-1H-s-indacen-4-yl)urea
SMILESCC(C)(O)c1ncc(S(N)=O)s1.NC(=O)Nc1c2c(cc3c1CCC3=O)CCC2
InChIInChI=1S/C13H14N2O2.C6H10N2O2S2/c14-13(17)15-12-8-3-1-2-7(8)6-10-9(12)4-5-11(10)16;1-6(2,9)5-8-3-4(11-5)12(7)10/h6H,1-5H2,(H3,14,15,17);3,9H,7H2,1-2H3
InChIKeyTVXUSKNKDAZTAL-UHFFFAOYSA-N
XLogP2.15
TPSA148.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[amino-[5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-oxo-λ6-sulfanylidene]-3-(7-oxo-2,3,5,6-tetrahydro-1H-s-indacen-4-yl)urea
CID 146570910
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-(5-aminosulfanyl-1,3-thiazol-2-yl)ethanone;1,2,3,5,6,7-hexahydro-s-indacen-4-ylurea
CID 142522787
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
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-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-λ6-sulfanylidene]-3-(6-cyclopropyl-5-methyl-2,3-dihydro-1H-inden-4-yl)urea
CID 146610747
4-[(dimethylamino)methyl]benzenesulfinamide;1,2,3,5,6,7-hexahydro-s-indacen-4-ylurea
CID 142522980
ethane;2-(2-methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide
CID 142522939
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
(2,6-dimethyl-4-pyridinyl)urea;5-(2-hydroxypropan-2-yl)-4-methylthiophene-2-sulfinamide
CID 142522860
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
1,2,3,5,6,7-hexahydro-s-indacen-4-ylurea;S-(1-methylcyclopropyl)thiohydroxylamine
CID 154660315

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinamide;(7-oxo-2,3,5,6-tetrahydro-1H-s-indacen-4-yl)urea?
The IUPAC name of 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinamide;(7-oxo-2,3,5,6-tetrahydro-1H-s-indacen-4-yl)urea (CID 142522743) is 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinamide;(7-oxo-2,3,5,6-tetrahydro-1H-s-indacen-4-yl)urea.
What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinamide;(7-oxo-2,3,5,6-tetrahydro-1H-s-indacen-4-yl)urea?
The canonical SMILES for 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinamide;(7-oxo-2,3,5,6-tetrahydro-1H-s-indacen-4-yl)urea is CC(C)(O)c1ncc(S(N)=O)s1.NC(=O)Nc1c2c(cc3c1CCC3=O)CCC2.
What is the InChIKey of 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinamide;(7-oxo-2,3,5,6-tetrahydro-1H-s-indacen-4-yl)urea?
The InChIKey is TVXUSKNKDAZTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2.C6H10N2O2S2/c14-13(17)15-12-8-3-1-2-7(8)6-10-9(12)4-5-11(10)16;1-6(2,9)5-8-3-4(11-5)12(7)10/h6H,1-5H2,(H3,14,15,17);3,9H,7H2,1-2H3.
What are the key properties of 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinamide;(7-oxo-2,3,5,6-tetrahydro-1H-s-indacen-4-yl)urea?
2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinamide;(7-oxo-2,3,5,6-tetrahydro-1H-s-indacen-4-yl)urea has a molecular weight of 436.56 g/mol, XLogP of 2.15, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfinamide;(7-oxo-2,3,5,6-tetrahydro-1H-s-indacen-4-yl)urea is sourced from PubChem (CID 142522743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).