N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide

C16H15N5O2S — CID 146148165

IUPACN-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
SMILESCc1nnc(N(C)C(=O)Cn2cnc(-c3ccccc3)cc2=O)s1
InChIInChI=1S/C16H15N5O2S/c1-11-18-19-16(24-11)20(2)15(23)9-21-10-17-13(8-14(21)22)12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3
InChIKeyAQAZSWPCVFWWLM-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.73
Rot. Bonds4

About N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide

N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide (PubChem CID 146148165) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
PubChem CID146148165
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC NameN-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
SMILESCc1nnc(N(C)C(=O)Cn2cnc(-c3ccccc3)cc2=O)s1
InChIInChI=1S/C16H15N5O2S/c1-11-18-19-16(24-11)20(2)15(23)9-21-10-17-13(8-14(21)22)12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3
InChIKeyAQAZSWPCVFWWLM-UHFFFAOYSA-N
XLogP1.73
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-methylacetamide
CID 30936012
N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121063696
N-[2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 1447078
N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 12679001
3-[(2-methylphenyl)methyl]-6-phenylpyrimidin-4-one
CID 30462724
4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 90515615
N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121063662
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121059005
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261950
2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 114582367
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121106800
N-(1,3-benzothiazol-2-yl)-2-(6-fluoro-4-oxoquinazolin-3-yl)-N-methylacetamide
CID 55580126

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide?
The IUPAC name of N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide (CID 146148165) is N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide is Cc1nnc(N(C)C(=O)Cn2cnc(-c3ccccc3)cc2=O)s1.
What is the InChIKey of N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide?
The InChIKey is AQAZSWPCVFWWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-11-18-19-16(24-11)20(2)15(23)9-21-10-17-13(8-14(21)22)12-6-4-3-5-7-12/h3-8,10H,9H2,1-2H3.
What are the key properties of N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide?
N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide has a molecular weight of 341.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 146148165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).