4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-quinolin-2-ylpiperazine-1-carboxamide

C22H20N6OS — CID 68777281

IUPAC4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-quinolin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc2ccccc2n1)N1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C22H20N6OS/c29-21(24-19-11-10-16-6-4-5-9-18(16)23-19)27-12-14-28(15-13-27)22-25-20(26-30-22)17-7-2-1-3-8-17/h1-11H,12-15H2,(H,23,24,29)
InChIKeyVTSHABOGQJTNGU-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.11
Rot. Bonds3

About 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-quinolin-2-ylpiperazine-1-carboxamide

4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-quinolin-2-ylpiperazine-1-carboxamide (PubChem CID 68777281) has the molecular formula C22H20N6OS and a molecular weight of 416.51 g/mol. Its IUPAC name is 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-quinolin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-quinolin-2-ylpiperazine-1-carboxamide
PubChem CID68777281
Molecular FormulaC22H20N6OS
Molecular Weight416.51 g/mol
Exact Mass416.14
IUPAC Name4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-quinolin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc2ccccc2n1)N1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C22H20N6OS/c29-21(24-19-11-10-16-6-4-5-9-18(16)23-19)27-12-14-28(15-13-27)22-25-20(26-30-22)17-7-2-1-3-8-17/h1-11H,12-15H2,(H,23,24,29)
InChIKeyVTSHABOGQJTNGU-UHFFFAOYSA-N
XLogP4.11
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]benzoic acid
CID 69297209
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 11552354
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 15979119
N-[3-(hydroxymethyl)phenyl]-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 68778002
N-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
CID 71508673
2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 6733956
3-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]piperidine-1-carboxylic acid
CID 68779057
2-methoxy-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133317995
2-methyl-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-one
CID 142080060
4-[3-(furan-2-yl)-1,2,4-thiadiazol-5-yl]-N-phenylpiperazine-1-carboxamide
CID 15979377
2,2,2-trifluoro-N-[4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]phenyl]acetamide
CID 141146312
N-(1,2-benzoxazol-3-yl)-4-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 68780290

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-quinolin-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-quinolin-2-ylpiperazine-1-carboxamide (CID 68777281) is 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-quinolin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-quinolin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-quinolin-2-ylpiperazine-1-carboxamide is O=C(Nc1ccc2ccccc2n1)N1CCN(c2nc(-c3ccccc3)ns2)CC1.
What is the InChIKey of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-quinolin-2-ylpiperazine-1-carboxamide?
The InChIKey is VTSHABOGQJTNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6OS/c29-21(24-19-11-10-16-6-4-5-9-18(16)23-19)27-12-14-28(15-13-27)22-25-20(26-30-22)17-7-2-1-3-8-17/h1-11H,12-15H2,(H,23,24,29).
What are the key properties of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-quinolin-2-ylpiperazine-1-carboxamide?
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-quinolin-2-ylpiperazine-1-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-quinolin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 68777281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).