N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

C15H18N6O2S — CID 56718047

IUPACN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCCc1nc(C)sc1CNC(=O)Cc1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C15H18N6O2S/c1-4-10-11(24-9(3)18-10)7-16-13(22)6-12-19-15-17-8(2)5-14(23)21(15)20-12/h5H,4,6-7H2,1-3H3,(H,16,22)(H,17,19,20)
InChIKeyXVNDONGARJSSRO-UHFFFAOYSA-N
MW346.42 g/mol
LogP0.91
Rot. Bonds5

About N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 56718047) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID56718047
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCCc1nc(C)sc1CNC(=O)Cc1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C15H18N6O2S/c1-4-10-11(24-9(3)18-10)7-16-13(22)6-12-19-15-17-8(2)5-14(23)21(15)20-12/h5H,4,6-7H2,1-3H3,(H,16,22)(H,17,19,20)
InChIKeyXVNDONGARJSSRO-UHFFFAOYSA-N
XLogP0.91
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-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

CID 77082138
CID 77082138
CID 70710421
CID 70710421
CID 70769071
CID 70769071
CID 71873256
CID 71873256
CID 91771393
CID 91771393
CID 91784777
CID 91784777
CID 91832233
CID 91832233
CID 92555783
CID 92555783
CID 96363835
CID 96363835
CID 96363836
CID 96363836
CID 98352999
CID 98352999
CID 98353000
CID 98353000

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 56718047) is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is CCc1nc(C)sc1CNC(=O)Cc1nc2nc(C)cc(=O)n2[nH]1.
What is the InChIKey of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is XVNDONGARJSSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-4-10-11(24-9(3)18-10)7-16-13(22)6-12-19-15-17-8(2)5-14(23)21(15)20-12/h5H,4,6-7H2,1-3H3,(H,16,22)(H,17,19,20).
What are the key properties of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 346.42 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 56718047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).