N-(3-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride

C12H16Cl2N2O2S — CID 119337207

IUPACN-(3-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(N(C)C(=O)C2CSCN2)cc1Cl.Cl
InChIInChI=1S/C12H15ClN2O2S.ClH/c1-15(12(16)10-6-18-7-14-10)8-3-4-11(17-2)9(13)5-8;/h3-5,10,14H,6-7H2,1-2H3;1H
InChIKeyMZWAKUNHBJBAHD-UHFFFAOYSA-N
MW323.25 g/mol
LogP2.40
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride

N-(3-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119337207) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119337207
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(N(C)C(=O)C2CSCN2)cc1Cl.Cl
InChIInChI=1S/C12H15ClN2O2S.ClH/c1-15(12(16)10-6-18-7-14-10)8-3-4-11(17-2)9(13)5-8;/h3-5,10,14H,6-7H2,1-2H3;1H
InChIKeyMZWAKUNHBJBAHD-UHFFFAOYSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119807505
(4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 124588399
4-[(3-chloro-4-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674248
3-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119807515
1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
CID 119337228
N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119266862
N-(3-chloro-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807540
1-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182589
2-[methyl(1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 61159518
2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179694
N-methoxy-N-methyl-1,3-thiazolidine-4-carboxamide
CID 22922472
N-(5-chloro-2-methoxy-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 110792775

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119337207) is N-(3-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride is COc1ccc(N(C)C(=O)C2CSCN2)cc1Cl.Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is MZWAKUNHBJBAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S.ClH/c1-15(12(16)10-6-18-7-14-10)8-3-4-11(17-2)9(13)5-8;/h3-5,10,14H,6-7H2,1-2H3;1H.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(3-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 323.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119337207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).