N-(4-tert-butylphenyl)-2-naphthalen-2-yl-1,3-thiazolidine-3-carboxamide

C24H26N2OS — CID 110186022

IUPACN-(4-tert-butylphenyl)-2-naphthalen-2-yl-1,3-thiazolidine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCSC2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H26N2OS/c1-24(2,3)20-10-12-21(13-11-20)25-23(27)26-14-15-28-22(26)19-9-8-17-6-4-5-7-18(17)16-19/h4-13,16,22H,14-15H2,1-3H3,(H,25,27)
InChIKeyGKHXXQHHMGGKCI-UHFFFAOYSA-N
MW390.55 g/mol
LogP6.42
Rot. Bonds2

About N-(4-tert-butylphenyl)-2-naphthalen-2-yl-1,3-thiazolidine-3-carboxamide

N-(4-tert-butylphenyl)-2-naphthalen-2-yl-1,3-thiazolidine-3-carboxamide (PubChem CID 110186022) has the molecular formula C24H26N2OS and a molecular weight of 390.55 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-naphthalen-2-yl-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-naphthalen-2-yl-1,3-thiazolidine-3-carboxamide
PubChem CID110186022
Molecular FormulaC24H26N2OS
Molecular Weight390.55 g/mol
Exact Mass390.18
IUPAC NameN-(4-tert-butylphenyl)-2-naphthalen-2-yl-1,3-thiazolidine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCSC2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H26N2OS/c1-24(2,3)20-10-12-21(13-11-20)25-23(27)26-14-15-28-22(26)19-9-8-17-6-4-5-7-18(17)16-19/h4-13,16,22H,14-15H2,1-3H3,(H,25,27)
InChIKeyGKHXXQHHMGGKCI-UHFFFAOYSA-N
XLogP6.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.55
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5220921
(2S)-2-(4-tert-butylphenyl)-N-(3-chloro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025225
(2R)-2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7328540
(2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025222
(2S)-N-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028921
(2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025251
(2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025231
N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3300468
(2S)-2-(furan-2-yl)-N-naphthalen-2-yl-1,3-thiazolidine-3-carboxamide
CID 6952278
2-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3548492
2-(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3440712
2-(1,3-benzodioxol-5-yl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 5114817

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-naphthalen-2-yl-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-naphthalen-2-yl-1,3-thiazolidine-3-carboxamide (CID 110186022) is N-(4-tert-butylphenyl)-2-naphthalen-2-yl-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-naphthalen-2-yl-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-naphthalen-2-yl-1,3-thiazolidine-3-carboxamide is CC(C)(C)c1ccc(NC(=O)N2CCSC2c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-naphthalen-2-yl-1,3-thiazolidine-3-carboxamide?
The InChIKey is GKHXXQHHMGGKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2OS/c1-24(2,3)20-10-12-21(13-11-20)25-23(27)26-14-15-28-22(26)19-9-8-17-6-4-5-7-18(17)16-19/h4-13,16,22H,14-15H2,1-3H3,(H,25,27).
What are the key properties of N-(4-tert-butylphenyl)-2-naphthalen-2-yl-1,3-thiazolidine-3-carboxamide?
N-(4-tert-butylphenyl)-2-naphthalen-2-yl-1,3-thiazolidine-3-carboxamide has a molecular weight of 390.55 g/mol, XLogP of 6.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-naphthalen-2-yl-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 110186022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).