1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]sulfonyl]urea

C20H22ClN3O4S2 — CID 142588069

IUPAC1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]sulfonyl]urea
SMILESO=C(Nc1c2c(c(Cl)c3c1CCC3)CCC2)NS(=O)(=O)c1ncc(C2(O)CCC2)s1
InChIInChI=1S/C20H22ClN3O4S2/c21-16-11-4-1-6-13(11)17(14-7-2-5-12(14)16)23-18(25)24-30(27,28)19-22-10-15(29-19)20(26)8-3-9-20/h10,26H,1-9H2,(H2,23,24,25)
InChIKeyKTQNQNDJFFQGOT-UHFFFAOYSA-N
MW468.00 g/mol
LogP3.66
Rot. Bonds4

About 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]sulfonyl]urea

1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]sulfonyl]urea (PubChem CID 142588069) has the molecular formula C20H22ClN3O4S2 and a molecular weight of 468.00 g/mol. Its IUPAC name is 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]sulfonyl]urea.

Molecular Properties

Compound Name1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]sulfonyl]urea
PubChem CID142588069
Molecular FormulaC20H22ClN3O4S2
Molecular Weight468.00 g/mol
Exact Mass467.07
IUPAC Name1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]sulfonyl]urea
SMILESO=C(Nc1c2c(c(Cl)c3c1CCC3)CCC2)NS(=O)(=O)c1ncc(C2(O)CCC2)s1
InChIInChI=1S/C20H22ClN3O4S2/c21-16-11-4-1-6-13(11)17(14-7-2-5-12(14)16)23-18(25)24-30(27,28)19-22-10-15(29-19)20(26)8-3-9-20/h10,26H,1-9H2,(H2,23,24,25)
InChIKeyKTQNQNDJFFQGOT-UHFFFAOYSA-N
XLogP3.66
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]sulfonyl]urea with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[[5-(1-hydroxycyclopentyl)-1,3-thiazol-2-yl]sulfonylcarbamoylamino]-3,5-di(propan-2-yl)benzoate
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1-[4-cyano-2,6-di(propan-2-yl)phenyl]-3-[[5-(1-hydroxycyclopentyl)-1,3-thiazol-2-yl]sulfonyl]urea
CID 142588101
1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(hydroxymethyl)-3-(2-hydroxypropan-2-yl)phenyl]sulfonylurea
CID 153337559
methyl 5-[(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoylsulfamoyl]-3-methylfuran-2-carboxylate
CID 170717762
1-(4,6-dimethylpyrimidin-5-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155076553
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrimidin-5-ylsulfonylurea
CID 137404275
1-(5-aminopyrazin-2-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155076531
1-[(7-hydroxy-7-methyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl)sulfonyl]-3-(4-methyl-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,7-trien-8-yl)urea
CID 166572692
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(5-phenylpyrimidin-2-yl)sulfonylurea
CID 137403388
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N,N-dimethylpyrimidine-5-carboxamide
CID 137404276
CID 175753214
CID 175753214
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(5-methoxypyrazin-2-yl)sulfonylurea
CID 155076516

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]sulfonyl]urea?
The IUPAC name of 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]sulfonyl]urea (CID 142588069) is 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]sulfonyl]urea.
What is the SMILES notation for 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]sulfonyl]urea?
The canonical SMILES for 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]sulfonyl]urea is O=C(Nc1c2c(c(Cl)c3c1CCC3)CCC2)NS(=O)(=O)c1ncc(C2(O)CCC2)s1.
What is the InChIKey of 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]sulfonyl]urea?
The InChIKey is KTQNQNDJFFQGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4S2/c21-16-11-4-1-6-13(11)17(14-7-2-5-12(14)16)23-18(25)24-30(27,28)19-22-10-15(29-19)20(26)8-3-9-20/h10,26H,1-9H2,(H2,23,24,25).
What are the key properties of 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]sulfonyl]urea?
1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]sulfonyl]urea has a molecular weight of 468.00 g/mol, XLogP of 3.66, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]sulfonyl]urea is sourced from PubChem (CID 142588069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).