N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-phenyl-1,3-thiazole-4-carboxamide

C19H22N2O2S — CID 99810928

IUPACN-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)c2csc(-c3ccccc3)n2)C12CCC2
InChIInChI=1S/C19H22N2O2S/c1-2-23-16-11-15(19(16)9-6-10-19)21-17(22)14-12-24-18(20-14)13-7-4-3-5-8-13/h3-5,7-8,12,15-16H,2,6,9-11H2,1H3,(H,21,22)/t15-,16-/m1/s1
InChIKeyIHACLRDBFVSHPM-HZPDHXFCSA-N
MW342.46 g/mol
LogP3.89
Rot. Bonds5

About N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 99810928) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID99810928
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCCO[C@@H]1C[C@@H](NC(=O)c2csc(-c3ccccc3)n2)C12CCC2
InChIInChI=1S/C19H22N2O2S/c1-2-23-16-11-15(19(16)9-6-10-19)21-17(22)14-12-24-18(20-14)13-7-4-3-5-8-13/h3-5,7-8,12,15-16H,2,6,9-11H2,1H3,(H,21,22)/t15-,16-/m1/s1
InChIKeyIHACLRDBFVSHPM-HZPDHXFCSA-N
XLogP3.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-phenyl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 97100539
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119604930
3-(2,6-dichlorophenyl)-N-[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 99810940
(1-ethoxyspiro[3.4]octan-3-yl) 2-methyl-1,3-thiazole-4-carboxylate
CID 71874302
N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 78810994
5-(dimethoxymethyl)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]furan-2-carboxamide
CID 100610935
1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 71925656
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 97100590
4-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229160
N-octadecyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 11259615
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119459274

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 99810928) is N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-phenyl-1,3-thiazole-4-carboxamide is CCO[C@@H]1C[C@@H](NC(=O)c2csc(-c3ccccc3)n2)C12CCC2.
What is the InChIKey of N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is IHACLRDBFVSHPM-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-2-23-16-11-15(19(16)9-6-10-19)21-17(22)14-12-24-18(20-14)13-7-4-3-5-8-13/h3-5,7-8,12,15-16H,2,6,9-11H2,1H3,(H,21,22)/t15-,16-/m1/s1.
What are the key properties of N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99810928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).