3-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-4-yl)indazole-6-carboxamide

C22H19ClN4O3S2 — CID 134522102

IUPAC3-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-4-yl)indazole-6-carboxamide
SMILESCC1(NC(=O)c2ccc3c(-c4ccccc4Cl)nn(-c4cscn4)c3c2)CCS(=O)(=O)C1
InChIInChI=1S/C22H19ClN4O3S2/c1-22(8-9-32(29,30)12-22)25-21(28)14-6-7-16-18(10-14)27(19-11-31-13-24-19)26-20(16)15-4-2-3-5-17(15)23/h2-7,10-11,13H,8-9,12H2,1H3,(H,25,28)
InChIKeyAKEVYIXTRIKHBH-UHFFFAOYSA-N
MW487.01 g/mol
LogP4.11
Rot. Bonds4

About 3-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-4-yl)indazole-6-carboxamide

3-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-4-yl)indazole-6-carboxamide (PubChem CID 134522102) has the molecular formula C22H19ClN4O3S2 and a molecular weight of 487.01 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-4-yl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-4-yl)indazole-6-carboxamide
PubChem CID134522102
Molecular FormulaC22H19ClN4O3S2
Molecular Weight487.01 g/mol
Exact Mass486.06
IUPAC Name3-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-4-yl)indazole-6-carboxamide
SMILESCC1(NC(=O)c2ccc3c(-c4ccccc4Cl)nn(-c4cscn4)c3c2)CCS(=O)(=O)C1
InChIInChI=1S/C22H19ClN4O3S2/c1-22(8-9-32(29,30)12-22)25-21(28)14-6-7-16-18(10-14)27(19-11-31-13-24-19)26-20(16)15-4-2-3-5-17(15)23/h2-7,10-11,13H,8-9,12H2,1H3,(H,25,28)
InChIKeyAKEVYIXTRIKHBH-UHFFFAOYSA-N
XLogP4.11
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.01
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-4-yl)indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-4-yl)indazole-6-carboxamide (CID 134522102) is 3-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-4-yl)indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-4-yl)indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-4-yl)indazole-6-carboxamide is CC1(NC(=O)c2ccc3c(-c4ccccc4Cl)nn(-c4cscn4)c3c2)CCS(=O)(=O)C1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-4-yl)indazole-6-carboxamide?
The InChIKey is AKEVYIXTRIKHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3S2/c1-22(8-9-32(29,30)12-22)25-21(28)14-6-7-16-18(10-14)27(19-11-31-13-24-19)26-20(16)15-4-2-3-5-17(15)23/h2-7,10-11,13H,8-9,12H2,1H3,(H,25,28).
What are the key properties of 3-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-4-yl)indazole-6-carboxamide?
3-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-4-yl)indazole-6-carboxamide has a molecular weight of 487.01 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(1,3-thiazol-4-yl)indazole-6-carboxamide is sourced from PubChem (CID 134522102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).