N-[2-(ethoxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

C17H16N4O2S — CID 86821917

IUPACN-[2-(ethoxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESCCOCc1ccccc1NC(=O)c1csc(-c2ncccn2)n1
InChIInChI=1S/C17H16N4O2S/c1-2-23-10-12-6-3-4-7-13(12)20-16(22)14-11-24-17(21-14)15-18-8-5-9-19-15/h3-9,11H,2,10H2,1H3,(H,20,22)
InChIKeyVMSUZUWEGJUSFA-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.39
Rot. Bonds6

About N-[2-(ethoxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

N-[2-(ethoxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 86821917) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[2-(ethoxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(ethoxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID86821917
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-[2-(ethoxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESCCOCc1ccccc1NC(=O)c1csc(-c2ncccn2)n1
InChIInChI=1S/C17H16N4O2S/c1-2-23-10-12-6-3-4-7-13(12)20-16(22)14-11-24-17(21-14)15-18-8-5-9-19-15/h3-9,11H,2,10H2,1H3,(H,20,22)
InChIKeyVMSUZUWEGJUSFA-UHFFFAOYSA-N
XLogP3.39
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-acetylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 60529832
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 55873301
N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9047021
N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide
CID 47361062
N-(8-methylquinolin-5-yl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 51085163
N-[2-(ethoxymethyl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 86821843
2-(aminomethyl)-N-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66376075
4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62685947
ethyl 4-ethyl-5-methyl-2-[(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylate
CID 55883672
2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 65199403
N-[2-(ethoxymethyl)phenyl]-3,4-dimethylbenzamide
CID 86821684
3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide
CID 43695797

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethoxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(ethoxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (CID 86821917) is N-[2-(ethoxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(ethoxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(ethoxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is CCOCc1ccccc1NC(=O)c1csc(-c2ncccn2)n1.
What is the InChIKey of N-[2-(ethoxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is VMSUZUWEGJUSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-2-23-10-12-6-3-4-7-13(12)20-16(22)14-11-24-17(21-14)15-18-8-5-9-19-15/h3-9,11H,2,10H2,1H3,(H,20,22).
What are the key properties of N-[2-(ethoxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
N-[2-(ethoxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethoxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86821917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).