N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C15H21N7OS — CID 72917320

IUPACN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCCc1nnc(CNC(=O)CN2CCN(c3ncccn3)CC2)s1
InChIInChI=1S/C15H21N7OS/c1-2-13-19-20-14(24-13)10-18-12(23)11-21-6-8-22(9-7-21)15-16-4-3-5-17-15/h3-5H,2,6-11H2,1H3,(H,18,23)
InChIKeyINMDOAPVCOIRJI-UHFFFAOYSA-N
MW347.45 g/mol
LogP0.33
Rot. Bonds6

About N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 72917320) has the molecular formula C15H21N7OS and a molecular weight of 347.45 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID72917320
Molecular FormulaC15H21N7OS
Molecular Weight347.45 g/mol
Exact Mass347.15
IUPAC NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCCc1nnc(CNC(=O)CN2CCN(c3ncccn3)CC2)s1
InChIInChI=1S/C15H21N7OS/c1-2-13-19-20-14(24-13)10-18-12(23)11-21-6-8-22(9-7-21)15-16-4-3-5-17-15/h3-5H,2,6-11H2,1H3,(H,18,23)
InChIKeyINMDOAPVCOIRJI-UHFFFAOYSA-N
XLogP0.33
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-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-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 91831816
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetohydrazide
CID 63569943
N-(cyclopropylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 32847121
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 72884894
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 72936759
N-(2-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469187
oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 651293
N-[2-(2-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595807
N-(2-ethyl-1,2,4-triazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 156584420
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 135089946
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 109004850

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 72917320) is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is CCc1nnc(CNC(=O)CN2CCN(c3ncccn3)CC2)s1.
What is the InChIKey of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is INMDOAPVCOIRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7OS/c1-2-13-19-20-14(24-13)10-18-12(23)11-21-6-8-22(9-7-21)15-16-4-3-5-17-15/h3-5H,2,6-11H2,1H3,(H,18,23).
What are the key properties of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 347.45 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 72917320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).