N-(3-chloro-4-cyanophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide

C18H21ClN4O2S — CID 5228905

IUPACN-(3-chloro-4-cyanophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
SMILESCC(C)/N=C1\SC(CC(=O)Nc2ccc(C#N)c(Cl)c2)C(=O)N1C(C)C
InChIInChI=1S/C18H21ClN4O2S/c1-10(2)21-18-23(11(3)4)17(25)15(26-18)8-16(24)22-13-6-5-12(9-20)14(19)7-13/h5-7,10-11,15H,8H2,1-4H3,(H,22,24)/b21-18-
InChIKeyCYFQXYORUSBULR-UZYVYHOESA-N
MW392.91 g/mol
LogP3.66
Rot. Bonds5

About N-(3-chloro-4-cyanophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide

N-(3-chloro-4-cyanophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide (PubChem CID 5228905) has the molecular formula C18H21ClN4O2S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
PubChem CID5228905
Molecular FormulaC18H21ClN4O2S
Molecular Weight392.91 g/mol
Exact Mass392.11
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
SMILESCC(C)/N=C1\SC(CC(=O)Nc2ccc(C#N)c(Cl)c2)C(=O)N1C(C)C
InChIInChI=1S/C18H21ClN4O2S/c1-10(2)21-18-23(11(3)4)17(25)15(26-18)8-16(24)22-13-6-5-12(9-20)14(19)7-13/h5-7,10-11,15H,8H2,1-4H3,(H,22,24)/b21-18-
InChIKeyCYFQXYORUSBULR-UZYVYHOESA-N
XLogP3.66
TPSA85.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
CID 3591293
N-(4-methylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
CID 6914760
N-(5-chloro-2-methoxyphenyl)-2-[(5R)-4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl]acetamide
CID 1225011
N-(2,4-dibromophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
CID 5226426
N-(3-chloro-4-cyanophenyl)-3-methyl-5-oxohexanamide
CID 144704139
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782364
N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide
CID 54924873
N-(3-chloro-4-cyanophenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 65417290
2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide
CID 54918086
N-(4-ethylphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 18892038
2-[2-(3-chloro-4-cyanophenyl)imino-4-oxo-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1,3-thiazolidin-5-yl]-N-(4-hydroxyphenyl)acetamide
CID 167837770
3-amino-N-(3-chloro-4-cyanophenyl)-2,2,3-trimethylbutanamide
CID 65264787

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide (CID 5228905) is N-(3-chloro-4-cyanophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide is CC(C)/N=C1\SC(CC(=O)Nc2ccc(C#N)c(Cl)c2)C(=O)N1C(C)C.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is CYFQXYORUSBULR-UZYVYHOESA-N. The full InChI is InChI=1S/C18H21ClN4O2S/c1-10(2)21-18-23(11(3)4)17(25)15(26-18)8-16(24)22-13-6-5-12(9-20)14(19)7-13/h5-7,10-11,15H,8H2,1-4H3,(H,22,24)/b21-18-.
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 392.91 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 5228905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).