N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide

C19H23N3O3S2 — CID 19204742

IUPACN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCCOc1ccc(-c2nc(NC(=O)C3CSC(C)(C)N3C=O)sc2C)cc1
InChIInChI=1S/C19H23N3O3S2/c1-5-25-14-8-6-13(7-9-14)16-12(2)27-18(20-16)21-17(24)15-10-26-19(3,4)22(15)11-23/h6-9,11,15H,5,10H2,1-4H3,(H,20,21,24)
InChIKeyPCOQXANFOSXVQW-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.77
Rot. Bonds6

About N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide

N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 19204742) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
PubChem CID19204742
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCCOc1ccc(-c2nc(NC(=O)C3CSC(C)(C)N3C=O)sc2C)cc1
InChIInChI=1S/C19H23N3O3S2/c1-5-25-14-8-6-13(7-9-14)16-12(2)27-18(20-16)21-17(24)15-10-26-19(3,4)22(15)11-23/h6-9,11,15H,5,10H2,1-4H3,(H,20,21,24)
InChIKeyPCOQXANFOSXVQW-UHFFFAOYSA-N
XLogP3.77
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 2677955
2-amino-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177185
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 3323337
(4S)-3-formyl-N-(4-methoxyphenyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxamide
CID 682155
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19227719
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 41362497
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4557450
2,2,2-trifluoroethyl 4-[[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 16581765
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 4200975
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19242124
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 7541045
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 2102510

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide (CID 19204742) is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide is CCOc1ccc(-c2nc(NC(=O)C3CSC(C)(C)N3C=O)sc2C)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is PCOQXANFOSXVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c1-5-25-14-8-6-13(7-9-14)16-12(2)27-18(20-16)21-17(24)15-10-26-19(3,4)22(15)11-23/h6-9,11,15H,5,10H2,1-4H3,(H,20,21,24).
What are the key properties of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide?
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 405.55 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 19204742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).