N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-phenylquinoline-4-carboxamide

C20H17N5OS — CID 92659633

IUPACN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-phenylquinoline-4-carboxamide
SMILESNc1nnc(CCNC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1
InChIInChI=1S/C20H17N5OS/c21-20-25-24-18(27-20)10-11-22-19(26)15-12-17(13-6-2-1-3-7-13)23-16-9-5-4-8-14(15)16/h1-9,12H,10-11H2,(H2,21,25)(H,22,26)
InChIKeyLPEAADQVBAPTLE-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.31
Rot. Bonds5

About N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-phenylquinoline-4-carboxamide

N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-phenylquinoline-4-carboxamide (PubChem CID 92659633) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-phenylquinoline-4-carboxamide
PubChem CID92659633
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC NameN-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-phenylquinoline-4-carboxamide
SMILESNc1nnc(CCNC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1
InChIInChI=1S/C20H17N5OS/c21-20-25-24-18(27-20)10-11-22-19(26)15-12-17(13-6-2-1-3-7-13)23-16-9-5-4-8-14(15)16/h1-9,12H,10-11H2,(H2,21,25)(H,22,26)
InChIKeyLPEAADQVBAPTLE-UHFFFAOYSA-N
XLogP3.31
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 1257051
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
2-methoxy-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]quinoline-4-carboxamide
CID 119063740
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4603852

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-phenylquinoline-4-carboxamide (CID 92659633) is N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-phenylquinoline-4-carboxamide is Nc1nnc(CCNC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1.
What is the InChIKey of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is LPEAADQVBAPTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c21-20-25-24-18(27-20)10-11-22-19(26)15-12-17(13-6-2-1-3-7-13)23-16-9-5-4-8-14(15)16/h1-9,12H,10-11H2,(H2,21,25)(H,22,26).
What are the key properties of N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-phenylquinoline-4-carboxamide?
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 375.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 92659633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).