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

C24H21FN4O2S2 — CID 44609594

IUPACN-[[3-[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NCC2SCCN2C(=O)c2ncsc2-c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C24H21FN4O2S2/c1-28-13-18(17-4-2-3-5-19(17)28)23(30)26-12-20-29(10-11-32-20)24(31)21-22(33-14-27-21)15-6-8-16(25)9-7-15/h2-9,13-14,20H,10-12H2,1H3,(H,26,30)
InChIKeyKOIKHRZABRUPOX-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.39
Rot. Bonds5

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

N-[[3-[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindole-3-carboxamide (PubChem CID 44609594) has the molecular formula C24H21FN4O2S2 and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[[3-[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindole-3-carboxamide
PubChem CID44609594
Molecular FormulaC24H21FN4O2S2
Molecular Weight480.59 g/mol
Exact Mass480.11
IUPAC NameN-[[3-[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NCC2SCCN2C(=O)c2ncsc2-c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C24H21FN4O2S2/c1-28-13-18(17-4-2-3-5-19(17)28)23(30)26-12-20-29(10-11-32-20)24(31)21-22(33-14-27-21)15-6-8-16(25)9-7-15/h2-9,13-14,20H,10-12H2,1H3,(H,26,30)
InChIKeyKOIKHRZABRUPOX-UHFFFAOYSA-N
XLogP4.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[[3-[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindole-3-carboxamide (CID 44609594) is N-[[3-[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[[3-[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[[3-[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindole-3-carboxamide is Cn1cc(C(=O)NCC2SCCN2C(=O)c2ncsc2-c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of N-[[3-[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindole-3-carboxamide?
The InChIKey is KOIKHRZABRUPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2S2/c1-28-13-18(17-4-2-3-5-19(17)28)23(30)26-12-20-29(10-11-32-20)24(31)21-22(33-14-27-21)15-6-8-16(25)9-7-15/h2-9,13-14,20H,10-12H2,1H3,(H,26,30).
What are the key properties of N-[[3-[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindole-3-carboxamide?
N-[[3-[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindole-3-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 44609594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).