N-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide

C14H18Cl2N2OS — CID 3636809

IUPACN-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)N1CCSC1c1cccc(Cl)c1Cl
InChIInChI=1S/C14H18Cl2N2OS/c1-14(2,3)17-13(19)18-7-8-20-12(18)9-5-4-6-10(15)11(9)16/h4-6,12H,7-8H2,1-3H3,(H,17,19)
InChIKeyWQVPHCFPFJGWOI-UHFFFAOYSA-N
MW333.28 g/mol
LogP4.55
Rot. Bonds1

About N-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide

N-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 3636809) has the molecular formula C14H18Cl2N2OS and a molecular weight of 333.28 g/mol. Its IUPAC name is N-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID3636809
Molecular FormulaC14H18Cl2N2OS
Molecular Weight333.28 g/mol
Exact Mass332.05
IUPAC NameN-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESCC(C)(C)NC(=O)N1CCSC1c1cccc(Cl)c1Cl
InChIInChI=1S/C14H18Cl2N2OS/c1-14(2,3)17-13(19)18-7-8-20-12(18)9-5-4-6-10(15)11(9)16/h4-6,12H,7-8H2,1-3H3,(H,17,19)
InChIKeyWQVPHCFPFJGWOI-UHFFFAOYSA-N
XLogP4.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,3-dichlorophenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7495293
(2R)-2-(2,3-dichlorophenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7416385
N-benzyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 5211610
2-(2,3-dichlorophenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5211788
(2R)-2-(2,3-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 97496235
1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 5086784
(2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
CID 7355994
(2S)-N-(2,3-dichlorophenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7288804
1-[2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 5077564
N-(2,3-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 4200428
N-(2,6-dichlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5240782
(2S)-N-(2,3-dichlorophenyl)-2-(2,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7328188

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide (CID 3636809) is N-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide is CC(C)(C)NC(=O)N1CCSC1c1cccc(Cl)c1Cl.
What is the InChIKey of N-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is WQVPHCFPFJGWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2OS/c1-14(2,3)17-13(19)18-7-8-20-12(18)9-5-4-6-10(15)11(9)16/h4-6,12H,7-8H2,1-3H3,(H,17,19).
What are the key properties of N-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide?
N-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 333.28 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2,3-dichlorophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 3636809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).