8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide

C20H17N5O2S — CID 18345011

IUPAC8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide
SMILESO=C(Nc1nnc(NCCc2ccccc2)s1)c1ccc2cccnc2c1O
InChIInChI=1S/C20H17N5O2S/c26-17-15(9-8-14-7-4-11-21-16(14)17)18(27)23-20-25-24-19(28-20)22-12-10-13-5-2-1-3-6-13/h1-9,11,26H,10,12H2,(H,22,24)(H,23,25,27)
InChIKeyLOPFRCMELZNBMV-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.70
Rot. Bonds6

About 8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide

8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide (PubChem CID 18345011) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is 8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide.

Molecular Properties

Compound Name8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide
PubChem CID18345011
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Name8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide
SMILESO=C(Nc1nnc(NCCc2ccccc2)s1)c1ccc2cccnc2c1O
InChIInChI=1S/C20H17N5O2S/c26-17-15(9-8-14-7-4-11-21-16(14)17)18(27)23-20-25-24-19(28-20)22-12-10-13-5-2-1-3-6-13/h1-9,11,26H,10,12H2,(H,22,24)(H,23,25,27)
InChIKeyLOPFRCMELZNBMV-UHFFFAOYSA-N
XLogP3.70
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

8-hydroxy-N-(4-phenylbutyl)quinoline-7-carboxamide;methane
CID 157185579
tert-butyl 2-[[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]amino]-6-(phenylmethoxyamino)hexanoate
CID 18372623
tert-butyl (2S)-2-[[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]amino]-4-methylpentanoate;hydrate
CID 70162283
N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide
CID 18372521
N-[2-(4-bromophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide;methane
CID 159643443
tert-butyl (2S)-2-[[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]amino]-4-methylsulfanylbutanoate;methane
CID 158400869
4-[[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]carbamoyl]benzenesulfinic acid
CID 57027446
N-(2-bromophenyl)-8-hydroxyquinoline-7-carboxamide;methane
CID 161317877
8-hydroxy-N-(pyridin-2-ylmethyl)quinoline-7-carboxamide
CID 53302604
tert-butyl (2S)-1-[5-[(8-hydroxyquinoline-7-carbonyl)amino]-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxylate
CID 70162200
3-phenyl-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 509950
N-(3,3-diphenylpropyl)-8-hydroxyquinoline-7-carboxamide
CID 18372579

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide?
The IUPAC name of 8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide (CID 18345011) is 8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide.
What is the SMILES notation for 8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide?
The canonical SMILES for 8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide is O=C(Nc1nnc(NCCc2ccccc2)s1)c1ccc2cccnc2c1O.
What is the InChIKey of 8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide?
The InChIKey is LOPFRCMELZNBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c26-17-15(9-8-14-7-4-11-21-16(14)17)18(27)23-20-25-24-19(28-20)22-12-10-13-5-2-1-3-6-13/h1-9,11,26H,10,12H2,(H,22,24)(H,23,25,27).
What are the key properties of 8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide?
8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-[5-(2-phenylethylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide is sourced from PubChem (CID 18345011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).