N-(3-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

C20H21N5O2S — CID 15978993

IUPACN-(3-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)c1
InChIInChI=1S/C20H21N5O2S/c1-27-17-9-5-8-16(14-17)21-19(26)24-10-12-25(13-11-24)20-22-18(23-28-20)15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3,(H,21,26)
InChIKeyLHHLWFMZYCUUGH-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.57
Rot. Bonds4

About N-(3-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide

N-(3-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide (PubChem CID 15978993) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
PubChem CID15978993
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC NameN-(3-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)c1
InChIInChI=1S/C20H21N5O2S/c1-27-17-9-5-8-16(14-17)21-19(26)24-10-12-25(13-11-24)20-22-18(23-28-20)15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3,(H,21,26)
InChIKeyLHHLWFMZYCUUGH-UHFFFAOYSA-N
XLogP3.57
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 15978870
4-(3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)-N-phenylpiperazine-1-carboxamide
CID 15978998
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 15980696
4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-piperazine-1-carboxylic acid (3-methoxy-phenyl)-amide
CID 1447625
N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50768304
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-(trifluoromethoxy)phenyl)piperazine-1-carboxamide
CID 2809271
N-(3-methoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 6625719
1-(4-Methoxy-phenyl)-3-(3-phenyl-[1,2,4]thiadiazol-5-yl)-urea
CID 10758495
2-benzyl-N-(4-methoxyphenyl)-3-(4-methylphenyl)-1,2,4-thiadiazol-2-ium-5-amine chloride
CID 15317369
1-(2-Methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 10711230
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(2-(trifluoromethoxy)phenyl)piperazine-1-carboxamide
CID 44562095
2-(4-(3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 49664469

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide (CID 15978993) is N-(3-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The InChIKey is LHHLWFMZYCUUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-27-17-9-5-8-16(14-17)21-19(26)24-10-12-25(13-11-24)20-22-18(23-28-20)15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3,(H,21,26).
What are the key properties of N-(3-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
N-(3-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 15978993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).