1-(1,3-dioxo-[1,3]thiazolo[4,5-d][1,2]thiazol-1-yl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

C17H16N4O3S2 — CID 166042455

IUPAC1-(1,3-dioxo-[1,3]thiazolo[4,5-d][1,2]thiazol-1-yl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS1(=O)=NC(=O)c2ncsc21
InChIInChI=1S/C17H16N4O3S2/c22-15-14-16(25-8-18-14)26(24,20-15)21-17(23)19-13-11-5-1-3-9(11)7-10-4-2-6-12(10)13/h7-8H,1-6H2,(H2,19,20,21,22,23,24)
InChIKeyHKEFNIQCTRBZIL-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.84
Rot. Bonds2

About 1-(1,3-dioxo-[1,3]thiazolo[4,5-d][1,2]thiazol-1-yl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea

1-(1,3-dioxo-[1,3]thiazolo[4,5-d][1,2]thiazol-1-yl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (PubChem CID 166042455) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-(1,3-dioxo-[1,3]thiazolo[4,5-d][1,2]thiazol-1-yl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.

Molecular Properties

Compound Name1-(1,3-dioxo-[1,3]thiazolo[4,5-d][1,2]thiazol-1-yl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
PubChem CID166042455
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC Name1-(1,3-dioxo-[1,3]thiazolo[4,5-d][1,2]thiazol-1-yl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
SMILESO=C(Nc1c2c(cc3c1CCC3)CCC2)NS1(=O)=NC(=O)c2ncsc21
InChIInChI=1S/C17H16N4O3S2/c22-15-14-16(25-8-18-14)26(24,20-15)21-17(23)19-13-11-5-1-3-9(11)7-10-4-2-6-12(10)13/h7-8H,1-6H2,(H2,19,20,21,22,23,24)
InChIKeyHKEFNIQCTRBZIL-UHFFFAOYSA-N
XLogP2.84
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-dioxo-[1,3]thiazolo[4,5-d][1,2]thiazol-1-yl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea with MolForge

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Related Compounds

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CID 155431884
1-(6-bromo-1,3-dioxo-1,2-benzothiazol-1-yl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155432052
1-(5-cyano-1,3-dioxo-1,2-benzothiazol-1-yl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155431887
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[6-(2-hydroxypropan-2-yl)-1,3-dioxo-1,2-benzothiazol-1-yl]urea
CID 155431885
2-(1,3-dioxothieno[2,3-d][1,2]thiazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)acetamide
CID 167620710
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1-(4,6-dimethylpyrimidin-5-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155076553
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CID 145139672
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-methylpyrimidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxo-[1,3]thiazolo[4,5-d][1,2]thiazol-1-yl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The IUPAC name of 1-(1,3-dioxo-[1,3]thiazolo[4,5-d][1,2]thiazol-1-yl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea (CID 166042455) is 1-(1,3-dioxo-[1,3]thiazolo[4,5-d][1,2]thiazol-1-yl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea.
What is the SMILES notation for 1-(1,3-dioxo-[1,3]thiazolo[4,5-d][1,2]thiazol-1-yl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The canonical SMILES for 1-(1,3-dioxo-[1,3]thiazolo[4,5-d][1,2]thiazol-1-yl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is O=C(Nc1c2c(cc3c1CCC3)CCC2)NS1(=O)=NC(=O)c2ncsc21.
What is the InChIKey of 1-(1,3-dioxo-[1,3]thiazolo[4,5-d][1,2]thiazol-1-yl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
The InChIKey is HKEFNIQCTRBZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c22-15-14-16(25-8-18-14)26(24,20-15)21-17(23)19-13-11-5-1-3-9(11)7-10-4-2-6-12(10)13/h7-8H,1-6H2,(H2,19,20,21,22,23,24).
What are the key properties of 1-(1,3-dioxo-[1,3]thiazolo[4,5-d][1,2]thiazol-1-yl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea?
1-(1,3-dioxo-[1,3]thiazolo[4,5-d][1,2]thiazol-1-yl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea has a molecular weight of 388.47 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxo-[1,3]thiazolo[4,5-d][1,2]thiazol-1-yl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea is sourced from PubChem (CID 166042455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).