N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

C23H28N4O3S — CID 55876241

IUPACN-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESCCCOc1ccc(CN(CCC)C(=O)c2csc(-c3ncccn3)n2)cc1OCC
InChIInChI=1S/C23H28N4O3S/c1-4-12-27(15-17-8-9-19(30-13-5-2)20(14-17)29-6-3)23(28)18-16-31-22(26-18)21-24-10-7-11-25-21/h7-11,14,16H,4-6,12-13,15H2,1-3H3
InChIKeyXIVACHFBQPIHBX-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.84
Rot. Bonds11

About N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 55876241) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID55876241
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESCCCOc1ccc(CN(CCC)C(=O)c2csc(-c3ncccn3)n2)cc1OCC
InChIInChI=1S/C23H28N4O3S/c1-4-12-27(15-17-8-9-19(30-13-5-2)20(14-17)29-6-3)23(28)18-16-31-22(26-18)21-24-10-7-11-25-21/h7-11,14,16H,4-6,12-13,15H2,1-3H3
InChIKeyXIVACHFBQPIHBX-UHFFFAOYSA-N
XLogP4.84
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
CID 55502855
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2,6-dimethyl-N-propylpyridine-3-carboxamide
CID 55876114
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541
N-[(3-ethoxy-4-propoxyphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)-N-propylpyridazine-3-carboxamide
CID 55429841
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylsulfanyl-N-propylpropanamide
CID 55686789
N-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 110900035
2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332838
N-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide
CID 55332644
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119268681
N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55550163
2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332598
2-(3-methoxy-4-methylphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55455967

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (CID 55876241) is N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is CCCOc1ccc(CN(CCC)C(=O)c2csc(-c3ncccn3)n2)cc1OCC.
What is the InChIKey of N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is XIVACHFBQPIHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-4-12-27(15-17-8-9-19(30-13-5-2)20(14-17)29-6-3)23(28)18-16-31-22(26-18)21-24-10-7-11-25-21/h7-11,14,16H,4-6,12-13,15H2,1-3H3.
What are the key properties of N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 4.84, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55876241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).