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

C16H14N4O2S — CID 121063696

IUPACN-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc(-c3ccccc3)cc2=O)sn1
InChIInChI=1S/C16H14N4O2S/c1-11-7-15(23-19-11)18-14(21)9-20-10-17-13(8-16(20)22)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,21)
InChIKeyDUJUVYXJKKBCTL-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.31
Rot. Bonds4

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

N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide (PubChem CID 121063696) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
PubChem CID121063696
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc(-c3ccccc3)cc2=O)sn1
InChIInChI=1S/C16H14N4O2S/c1-11-7-15(23-19-11)18-14(21)9-20-10-17-13(8-16(20)22)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,21)
InChIKeyDUJUVYXJKKBCTL-UHFFFAOYSA-N
XLogP2.31
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide 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-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 121050128
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-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide
CID 30935825
N-(4-morpholin-4-ylphenyl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121063679
N-[(2,6-difluorophenyl)methyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121063662
N-(2-chlorophenyl)-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetamide
CID 30935880
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121106800
N-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 146148165
ethyl 2-[[2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetyl]amino]benzoate
CID 30935895
2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261996
2-(6-oxo-4-phenylpyrimidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121063676

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide (CID 121063696) is N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide is Cc1cc(NC(=O)Cn2cnc(-c3ccccc3)cc2=O)sn1.
What is the InChIKey of N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide?
The InChIKey is DUJUVYXJKKBCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-11-7-15(23-19-11)18-14(21)9-20-10-17-13(8-16(20)22)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,21).
What are the key properties of N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide?
N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide has a molecular weight of 326.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 121063696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).