N-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C17H17N5O2S — CID 87365300

IUPACN-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(Nc2nccc(-c3sc(NC(C)=O)nc3C)n2)c1
InChIInChI=1S/C17H17N5O2S/c1-10-15(25-17(19-10)20-11(2)23)14-7-8-18-16(22-14)21-12-5-4-6-13(9-12)24-3/h4-9H,1-3H3,(H,18,21,22)(H,19,20,23)
InChIKeyAHMOXVNKGBCTBT-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.62
Rot. Bonds5

About N-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 87365300) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID87365300
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(Nc2nccc(-c3sc(NC(C)=O)nc3C)n2)c1
InChIInChI=1S/C17H17N5O2S/c1-10-15(25-17(19-10)20-11(2)23)14-7-8-18-16(22-14)21-12-5-4-6-13(9-12)24-3/h4-9H,1-3H3,(H,18,21,22)(H,19,20,23)
InChIKeyAHMOXVNKGBCTBT-UHFFFAOYSA-N
XLogP3.62
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[4-methyl-5-[2-(3-nitrosoanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]propanamide
CID 88968849
3-ethyl-5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-one
CID 11210054
3-[[4-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol
CID 87954429
(E)-3-(3-methoxyphenyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 31171502
methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916420
5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine
CID 11724828
ethyl 3-[2-(3-methoxyanilino)pyrimidin-4-yl]-1-methylpyrazole-5-carboxylate
CID 163218244
1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(3-propan-2-ylphenyl)urea
CID 155669052
N-[7-[2-(3-methoxyanilino)pyrimidin-4-yl]-2,3-dihydro-1,4-benzodioxin-5-yl]acetamide
CID 10222106
N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 14347056
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540
N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109315201

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 87365300) is N-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is COc1cccc(Nc2nccc(-c3sc(NC(C)=O)nc3C)n2)c1.
What is the InChIKey of N-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is AHMOXVNKGBCTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-10-15(25-17(19-10)20-11(2)23)14-7-8-18-16(22-14)21-12-5-4-6-13(9-12)24-3/h4-9H,1-3H3,(H,18,21,22)(H,19,20,23).
What are the key properties of N-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 355.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87365300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).