N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide

C12H16ClN3OS — CID 43697653

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)C1CSCN1
InChIInChI=1S/C12H16ClN3OS/c1-16(2)11-8(13)4-3-5-9(11)15-12(17)10-6-18-7-14-10/h3-5,10,14H,6-7H2,1-2H3,(H,15,17)
InChIKeyDDIAJSXANPELKB-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.01
Rot. Bonds3

About N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide

N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 43697653) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID43697653
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)C1CSCN1
InChIInChI=1S/C12H16ClN3OS/c1-16(2)11-8(13)4-3-5-9(11)15-12(17)10-6-18-7-14-10/h3-5,10,14H,6-7H2,1-2H3,(H,15,17)
InChIKeyDDIAJSXANPELKB-UHFFFAOYSA-N
XLogP2.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-(2-chlorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261984
(2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 61154948
N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 103479490
(2S)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-2-carboxamide
CID 93265591
N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895
N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 79602563
N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43122672
N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43702716
2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868200
N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281804
N-[4-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43617089
N-(2-phenylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24694917

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide (CID 43697653) is N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide is CN(C)c1c(Cl)cccc1NC(=O)C1CSCN1.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is DDIAJSXANPELKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3OS/c1-16(2)11-8(13)4-3-5-9(11)15-12(17)10-6-18-7-14-10/h3-5,10,14H,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide?
N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 285.80 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43697653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).