(4S)-3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide

C14H18N2O3S — CID 682155

IUPAC(4S)-3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CSC(C)(C)N2C=O)cc1
InChIInChI=1S/C14H18N2O3S/c1-14(2)16(9-17)12(8-20-14)13(18)15-10-4-6-11(19-3)7-5-10/h4-7,9,12H,8H2,1-3H3,(H,15,18)/t12-/m1/s1
InChIKeyUCFXLVSDEWKUNL-GFCCVEGCSA-N
MW294.38 g/mol
LogP1.94
Rot. Bonds4

About (4S)-3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide

(4S)-3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 682155) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is (4S)-3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
PubChem CID682155
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name(4S)-3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CSC(C)(C)N2C=O)cc1
InChIInChI=1S/C14H18N2O3S/c1-14(2)16(9-17)12(8-20-14)13(18)15-10-4-6-11(19-3)7-5-10/h4-7,9,12H,8H2,1-3H3,(H,15,18)/t12-/m1/s1
InChIKeyUCFXLVSDEWKUNL-GFCCVEGCSA-N
XLogP1.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
CID 3753855
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
CID 19204742
N-(4-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 816577
(4S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
CID 717039
N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 56785175
N-(3-cyano-5-phenylthiophen-2-yl)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
CID 19204783
cis-(1R,3S)-3-(2,2-dichloroethenyl)-N-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 678125
cis-(1S,3R)-3-(2,2-dichloroethenyl)-N-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 678124
(4S)-N-(4-methoxyphenyl)-3-(thiophene-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95233109
N-(4-methoxyphenyl)spiro[2.3]hexane-2-carboxamide
CID 3967307
2-tert-butyl-3-(4-methoxybenzoyl)-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42745274
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209

Frequently Asked Questions

What is the IUPAC name of (4S)-3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide (CID 682155) is (4S)-3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide is COc1ccc(NC(=O)[C@H]2CSC(C)(C)N2C=O)cc1.
What is the InChIKey of (4S)-3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is UCFXLVSDEWKUNL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-14(2)16(9-17)12(8-20-14)13(18)15-10-4-6-11(19-3)7-5-10/h4-7,9,12H,8H2,1-3H3,(H,15,18)/t12-/m1/s1.
What are the key properties of (4S)-3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
(4S)-3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 682155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).