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

C20H21N5O2S — CID 15980696

IUPACN-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1
InChIInChI=1S/C20H21N5O2S/c1-27-17-9-7-16(8-10-17)21-19(26)24-11-13-25(14-12-24)20-22-18(23-28-20)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,21,26)
InChIKeyFDPHOHMUSVHJQF-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.57
Rot. Bonds4

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

N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide (PubChem CID 15980696) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
PubChem CID15980696
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC NameN-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1
InChIInChI=1S/C20H21N5O2S/c1-27-17-9-7-16(8-10-17)21-19(26)24-11-13-25(14-12-24)20-22-18(23-28-20)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,21,26)
InChIKeyFDPHOHMUSVHJQF-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
N-(3-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 15978993
4-(3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)-N-phenylpiperazine-1-carboxamide
CID 15978998
1-(4-Methoxyphenyl)-3-(3-(6-(pyrrolidin-1-yl)pyridin-2-yl)phenyl)urea
CID 117911495
1-[4-(4-Methoxyphenyl)piperazin-1-YL]-2-[(3-phenyl-1,2,4-oxadiazol-5-YL)sulfanyl]ethan-1-one
CID 16024844
1-[1-[2-(4-Methoxyanilino)pyrimidin-4-yl]pyrrolidin-3-yl]-3-[(4-methoxyphenyl)methyl]urea
CID 44525935
6-[(4-benzylpiperidin-1-yl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1397715
6-(4-methoxyphenyl)-4-N-propyl-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164614135
1-[(4-Fluorophenyl)methyl]-3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-6-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]anilino]-1,3,5-triazine-2,4-dione
CID 68020624
1-[(4-Fluorophenyl)methyl]-3-(3-hydroxypropyl)-6-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]anilino]-1,3,5-triazine-2,4-dione
CID 118945655
1-[(4-Fluorophenyl)methyl]-3-[3-hydroxy-2-(hydroxymethyl)propyl]-6-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]anilino]-1,3,5-triazine-2,4-dione
CID 130278253
3-[(2S)-2,3-dihydroxypropyl]-1-[(4-fluorophenyl)methyl]-6-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)oxy]anilino]-1,3,5-triazine-2,4-dione
CID 130278254

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide (CID 15980696) is N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
The InChIKey is FDPHOHMUSVHJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-27-17-9-7-16(8-10-17)21-19(26)24-11-13-25(14-12-24)20-22-18(23-28-20)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,21,26).
What are the key properties of N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide?
N-(4-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-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 15980696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).