N-[3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide

C20H20N4OS — CID 133310369

IUPACN-[3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1cccc(CNc2nc(-c3ccccc3)ns2)c1)C1CCC1
InChIInChI=1S/C20H20N4OS/c25-19(16-9-5-10-16)22-17-11-4-6-14(12-17)13-21-20-23-18(24-26-20)15-7-2-1-3-8-15/h1-4,6-8,11-12,16H,5,9-10,13H2,(H,22,25)(H,21,23,24)
InChIKeyXLFLEWLPSNZHHQ-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.56
Rot. Bonds6

About N-[3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide

N-[3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide (PubChem CID 133310369) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide
PubChem CID133310369
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC NameN-[3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1cccc(CNc2nc(-c3ccccc3)ns2)c1)C1CCC1
InChIInChI=1S/C20H20N4OS/c25-19(16-9-5-10-16)22-17-11-4-6-14(12-17)13-21-20-23-18(24-26-20)15-7-2-1-3-8-15/h1-4,6-8,11-12,16H,5,9-10,13H2,(H,22,25)(H,21,23,24)
InChIKeyXLFLEWLPSNZHHQ-UHFFFAOYSA-N
XLogP4.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 133335548
N-[3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 133335550
N-[3-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 133335545
N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide
CID 10637031
4-(cyclopropanecarbonylamino)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 55819988
6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119180393
N-[3-[[(2-pyridin-4-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 24685608
N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 133310371
3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzonitrile
CID 133407141
methyl N-[4-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]carbamate
CID 133317518
N-[3-(chloromethyl)phenyl]cyclobutanecarboxamide
CID 114293317
2-(aminomethyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119710762

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide (CID 133310369) is N-[3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide is O=C(Nc1cccc(CNc2nc(-c3ccccc3)ns2)c1)C1CCC1.
What is the InChIKey of N-[3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide?
The InChIKey is XLFLEWLPSNZHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c25-19(16-9-5-10-16)22-17-11-4-6-14(12-17)13-21-20-23-18(24-26-20)15-7-2-1-3-8-15/h1-4,6-8,11-12,16H,5,9-10,13H2,(H,22,25)(H,21,23,24).
What are the key properties of N-[3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide?
N-[3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide has a molecular weight of 364.47 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 133310369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).