[4-[2-(3-methoxypropoxy)-4-(3-methyl-2-oxobutyl)phenyl]-1,3-thiazol-2-yl]carbamic acid

C19H24N2O5S — CID 146473703

IUPAC[4-[2-(3-methoxypropoxy)-4-(3-methyl-2-oxobutyl)phenyl]-1,3-thiazol-2-yl]carbamic acid
SMILESCOCCCOc1cc(CC(=O)C(C)C)ccc1-c1csc(NC(=O)O)n1
InChIInChI=1S/C19H24N2O5S/c1-12(2)16(22)9-13-5-6-14(17(10-13)26-8-4-7-25-3)15-11-27-18(20-15)21-19(23)24/h5-6,10-12H,4,7-9H2,1-3H3,(H,20,21)(H,23,24)
InChIKeyCAZDDPYDXBLYKS-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.08
Rot. Bonds10

About [4-[2-(3-methoxypropoxy)-4-(3-methyl-2-oxobutyl)phenyl]-1,3-thiazol-2-yl]carbamic acid

[4-[2-(3-methoxypropoxy)-4-(3-methyl-2-oxobutyl)phenyl]-1,3-thiazol-2-yl]carbamic acid (PubChem CID 146473703) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is [4-[2-(3-methoxypropoxy)-4-(3-methyl-2-oxobutyl)phenyl]-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-[2-(3-methoxypropoxy)-4-(3-methyl-2-oxobutyl)phenyl]-1,3-thiazol-2-yl]carbamic acid
PubChem CID146473703
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name[4-[2-(3-methoxypropoxy)-4-(3-methyl-2-oxobutyl)phenyl]-1,3-thiazol-2-yl]carbamic acid
SMILESCOCCCOc1cc(CC(=O)C(C)C)ccc1-c1csc(NC(=O)O)n1
InChIInChI=1S/C19H24N2O5S/c1-12(2)16(22)9-13-5-6-14(17(10-13)26-8-4-7-25-3)15-11-27-18(20-15)21-19(23)24/h5-6,10-12H,4,7-9H2,1-3H3,(H,20,21)(H,23,24)
InChIKeyCAZDDPYDXBLYKS-UHFFFAOYSA-N
XLogP4.08
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[2-(3-methoxypropoxy)-4-(3-methyl-2-oxobutyl)phenyl]-1,3-thiazol-2-yl]carbamic acid 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-[1-[3-(3-methoxypropoxy)-4-(1,3-thiazol-4-yl)phenyl]-3-methylbutan-2-yl]formamide
CID 169323286
2-(3,4-dimethoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7831958
4-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 19206344
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide
CID 60564262
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8753140
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 37010082
N-[4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442458
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247
2-(3,4-diethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 71713490
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16838788
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 3627689
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide
CID 18586800

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-methoxypropoxy)-4-(3-methyl-2-oxobutyl)phenyl]-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [4-[2-(3-methoxypropoxy)-4-(3-methyl-2-oxobutyl)phenyl]-1,3-thiazol-2-yl]carbamic acid (CID 146473703) is [4-[2-(3-methoxypropoxy)-4-(3-methyl-2-oxobutyl)phenyl]-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [4-[2-(3-methoxypropoxy)-4-(3-methyl-2-oxobutyl)phenyl]-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [4-[2-(3-methoxypropoxy)-4-(3-methyl-2-oxobutyl)phenyl]-1,3-thiazol-2-yl]carbamic acid is COCCCOc1cc(CC(=O)C(C)C)ccc1-c1csc(NC(=O)O)n1.
What is the InChIKey of [4-[2-(3-methoxypropoxy)-4-(3-methyl-2-oxobutyl)phenyl]-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is CAZDDPYDXBLYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-12(2)16(22)9-13-5-6-14(17(10-13)26-8-4-7-25-3)15-11-27-18(20-15)21-19(23)24/h5-6,10-12H,4,7-9H2,1-3H3,(H,20,21)(H,23,24).
What are the key properties of [4-[2-(3-methoxypropoxy)-4-(3-methyl-2-oxobutyl)phenyl]-1,3-thiazol-2-yl]carbamic acid?
[4-[2-(3-methoxypropoxy)-4-(3-methyl-2-oxobutyl)phenyl]-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 392.48 g/mol, XLogP of 4.08, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-methoxypropoxy)-4-(3-methyl-2-oxobutyl)phenyl]-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 146473703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).