N-(2-methylpropyl)-3-[2-(4-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide

C16H21N3O4S — CID 60609238

IUPACN-(2-methylpropyl)-3-[2-(4-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CSCN1C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H21N3O4S/c1-11(2)8-17-16(21)14-9-24-10-18(14)15(20)7-12-3-5-13(6-4-12)19(22)23/h3-6,11,14H,7-10H2,1-2H3,(H,17,21)
InChIKeySTSLJNOIOYXTDS-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.81
Rot. Bonds6

About N-(2-methylpropyl)-3-[2-(4-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide

N-(2-methylpropyl)-3-[2-(4-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 60609238) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-[2-(4-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-[2-(4-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide
PubChem CID60609238
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-(2-methylpropyl)-3-[2-(4-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CSCN1C(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H21N3O4S/c1-11(2)8-17-16(21)14-9-24-10-18(14)15(20)7-12-3-5-13(6-4-12)19(22)23/h3-6,11,14H,7-10H2,1-2H3,(H,17,21)
InChIKeySTSLJNOIOYXTDS-UHFFFAOYSA-N
XLogP1.81
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
N-butan-2-yl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 60609283
3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 60609103
(4R)-3-[(2S)-2-aminopropanoyl]-N-(4-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 136742385
(4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide
CID 97082517
(4S)-3-[2-(4-methylphenyl)acetyl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 46390001
(4R)-N-(2-methylpropyl)-3-[2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetyl]-1,3-thiazolidine-4-carboxamide
CID 95154648
(4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide
CID 95206426
(4R)-N-(3-methylbutyl)-3-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoyl]-1,3-thiazolidine-4-carboxamide
CID 95278861
N-tert-butyl-3-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,3-thiazolidine-4-carboxamide
CID 60618098
N-[(2R)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide
CID 83058575
(4R)-N-cyclopropyl-N-methyl-3-[2-(3-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 124607381

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-[2-(4-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-3-[2-(4-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide (CID 60609238) is N-(2-methylpropyl)-3-[2-(4-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-3-[2-(4-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-3-[2-(4-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide is CC(C)CNC(=O)C1CSCN1C(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methylpropyl)-3-[2-(4-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is STSLJNOIOYXTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-11(2)8-17-16(21)14-9-24-10-18(14)15(20)7-12-3-5-13(6-4-12)19(22)23/h3-6,11,14H,7-10H2,1-2H3,(H,17,21).
What are the key properties of N-(2-methylpropyl)-3-[2-(4-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide?
N-(2-methylpropyl)-3-[2-(4-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-[2-(4-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 60609238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).