N-[[3-[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide

C23H20FN5O2S2 — CID 44608471

IUPACN-[[3-[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2SCCN2C(=O)c2ncsc2-c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C23H20FN5O2S2/c1-28-17-8-3-2-7-16(17)19(27-28)22(30)25-12-18-29(9-10-32-18)23(31)20-21(33-13-26-20)14-5-4-6-15(24)11-14/h2-8,11,13,18H,9-10,12H2,1H3,(H,25,30)
InChIKeyQIZDOURVOMZTFB-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.78
Rot. Bonds5

About N-[[3-[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide

N-[[3-[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide (PubChem CID 44608471) has the molecular formula C23H20FN5O2S2 and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[[3-[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide
PubChem CID44608471
Molecular FormulaC23H20FN5O2S2
Molecular Weight481.58 g/mol
Exact Mass481.10
IUPAC NameN-[[3-[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2SCCN2C(=O)c2ncsc2-c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C23H20FN5O2S2/c1-28-17-8-3-2-7-16(17)19(27-28)22(30)25-12-18-29(9-10-32-18)23(31)20-21(33-13-26-20)14-5-4-6-15(24)11-14/h2-8,11,13,18H,9-10,12H2,1H3,(H,25,30)
InChIKeyQIZDOURVOMZTFB-UHFFFAOYSA-N
XLogP3.78
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide?
The IUPAC name of N-[[3-[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide (CID 44608471) is N-[[3-[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-[[3-[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide?
The canonical SMILES for N-[[3-[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide is Cn1nc(C(=O)NCC2SCCN2C(=O)c2ncsc2-c2cccc(F)c2)c2ccccc21.
What is the InChIKey of N-[[3-[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide?
The InChIKey is QIZDOURVOMZTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2S2/c1-28-17-8-3-2-7-16(17)19(27-28)22(30)25-12-18-29(9-10-32-18)23(31)20-21(33-13-26-20)14-5-4-6-15(24)11-14/h2-8,11,13,18H,9-10,12H2,1H3,(H,25,30).
What are the key properties of N-[[3-[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide?
N-[[3-[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindazole-3-carboxamide is sourced from PubChem (CID 44608471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).