N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide

C16H21N5OS — CID 154738743

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCCc1nnc(NC(=O)N2CCN(c3cccc(C)c3)CC2)s1
InChIInChI=1S/C16H21N5OS/c1-3-14-18-19-15(23-14)17-16(22)21-9-7-20(8-10-21)13-6-4-5-12(2)11-13/h4-6,11H,3,7-10H2,1-2H3,(H,17,19,22)
InChIKeySXCYKDNASXBDAZ-UHFFFAOYSA-N
MW331.45 g/mol
LogP2.76
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 154738743) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID154738743
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCCc1nnc(NC(=O)N2CCN(c3cccc(C)c3)CC2)s1
InChIInChI=1S/C16H21N5OS/c1-3-14-18-19-15(23-14)17-16(22)21-9-7-20(8-10-21)13-6-4-5-12(2)11-13/h4-6,11H,3,7-10H2,1-2H3,(H,17,19,22)
InChIKeySXCYKDNASXBDAZ-UHFFFAOYSA-N
XLogP2.76
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 1400831
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 91831816
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanamide
CID 3889750
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 118761754
N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950439
(4-ethylthiadiazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 30543853
(E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(3-methylphenyl)prop-2-enamide
CID 17417141
4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56505268
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
N-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108885668
2-amino-2-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 79813373

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide (CID 154738743) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide is CCc1nnc(NC(=O)N2CCN(c3cccc(C)c3)CC2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is SXCYKDNASXBDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-3-14-18-19-15(23-14)17-16(22)21-9-7-20(8-10-21)13-6-4-5-12(2)11-13/h4-6,11H,3,7-10H2,1-2H3,(H,17,19,22).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 331.45 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 154738743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).