N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide

C21H21N3O3S2 — CID 60604856

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NCCN1CCCS1(=O)=O)c1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H21N3O3S2/c25-20(22-12-14-24-13-7-15-29(24,26)27)19-18(16-8-3-1-4-9-16)23-21(28-19)17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,22,25)
InChIKeyYFEFXJWQJFHGJA-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.24
Rot. Bonds6

About N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide (PubChem CID 60604856) has the molecular formula C21H21N3O3S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
PubChem CID60604856
Molecular FormulaC21H21N3O3S2
Molecular Weight427.55 g/mol
Exact Mass427.10
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NCCN1CCCS1(=O)=O)c1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C21H21N3O3S2/c25-20(22-12-14-24-13-7-15-29(24,26)27)19-18(16-8-3-1-4-9-16)23-21(28-19)17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,22,25)
InChIKeyYFEFXJWQJFHGJA-UHFFFAOYSA-N
XLogP3.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 49066048
2-(2,4-dimethylphenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49065917
2,4-diphenyl-N-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 9083928
2,4-diphenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 32627812
2,4-diphenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 24595881
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 49067552
2-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120590902
3-(4-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-phenylpyrazole-5-carboxamide
CID 60604816
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 49067239
N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 119477493
4-methyl-2-(4-phenoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 59338114
2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide
CID 110720919

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide (CID 60604856) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide is O=C(NCCN1CCCS1(=O)=O)c1sc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?
The InChIKey is YFEFXJWQJFHGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S2/c25-20(22-12-14-24-13-7-15-29(24,26)27)19-18(16-8-3-1-4-9-16)23-21(28-19)17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,22,25).
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 60604856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).