2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

C19H25N5OS — CID 127417888

IUPAC2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3nc(C4CC4)ns3)CC2)c1C
InChIInChI=1S/C19H25N5OS/c1-13-4-3-5-16(14(13)2)20-17(25)12-23-8-10-24(11-9-23)19-21-18(22-26-19)15-6-7-15/h3-5,15H,6-12H2,1-2H3,(H,20,25)
InChIKeyVYQLWHSOQBYVSF-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.79
Rot. Bonds5

About 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 127417888) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID127417888
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCN(c3nc(C4CC4)ns3)CC2)c1C
InChIInChI=1S/C19H25N5OS/c1-13-4-3-5-16(14(13)2)20-17(25)12-23-8-10-24(11-9-23)19-21-18(22-26-19)15-6-7-15/h3-5,15H,6-12H2,1-2H3,(H,20,25)
InChIKeyVYQLWHSOQBYVSF-UHFFFAOYSA-N
XLogP2.79
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
N-(2,3-dimethylphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 1438331
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 56764466
N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide
CID 171327633
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide;dihydrochloride
CID 119833583
2-[4-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 46809920
N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898054
N-(2,3-dimethylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81492808
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963336
N-(2,3-dimethylphenyl)-2-[4-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 126781490
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(2,3-dimethylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 17407836

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide (CID 127417888) is 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCN(c3nc(C4CC4)ns3)CC2)c1C.
What is the InChIKey of 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is VYQLWHSOQBYVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-13-4-3-5-16(14(13)2)20-17(25)12-23-8-10-24(11-9-23)19-21-18(22-26-19)15-6-7-15/h3-5,15H,6-12H2,1-2H3,(H,20,25).
What are the key properties of 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 371.51 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 127417888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).