2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

C15H17ClFN5OS — CID 22195495

IUPAC2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCN(Cc2ccc(F)c(Cl)c2)CC1)Nc1nncs1
InChIInChI=1S/C15H17ClFN5OS/c16-12-7-11(1-2-13(12)17)8-21-3-5-22(6-4-21)9-14(23)19-15-20-18-10-24-15/h1-2,7,10H,3-6,8-9H2,(H,19,20,23)
InChIKeyVSHNPFIOWWFHIN-UHFFFAOYSA-N
MW369.85 g/mol
LogP2.09
Rot. Bonds5

About 2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 22195495) has the molecular formula C15H17ClFN5OS and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID22195495
Molecular FormulaC15H17ClFN5OS
Molecular Weight369.85 g/mol
Exact Mass369.08
IUPAC Name2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESO=C(CN1CCN(Cc2ccc(F)c(Cl)c2)CC1)Nc1nncs1
InChIInChI=1S/C15H17ClFN5OS/c16-12-7-11(1-2-13(12)17)8-21-3-5-22(6-4-21)9-14(23)19-15-20-18-10-24-15/h1-2,7,10H,3-6,8-9H2,(H,19,20,23)
InChIKeyVSHNPFIOWWFHIN-UHFFFAOYSA-N
XLogP2.09
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22195400
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22195442
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 22195453
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 22195458
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 17375351
2-[4-(5-chloro-2-cyanophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455423
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 22195848
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 30725889
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 17279131
N-(3-chloro-4-fluorophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 166602128
2-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455431
2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 22200280

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 22195495) is 2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is O=C(CN1CCN(Cc2ccc(F)c(Cl)c2)CC1)Nc1nncs1.
What is the InChIKey of 2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is VSHNPFIOWWFHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN5OS/c16-12-7-11(1-2-13(12)17)8-21-3-5-22(6-4-21)9-14(23)19-15-20-18-10-24-15/h1-2,7,10H,3-6,8-9H2,(H,19,20,23).
What are the key properties of 2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 369.85 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 22195495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).