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

C17H22N4O2S — CID 133335545

IUPACN-[3-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]cyclobutanecarboxamide
SMILESCOCCc1nsc(NCc2cccc(NC(=O)C3CCC3)c2)n1
InChIInChI=1S/C17H22N4O2S/c1-23-9-8-15-20-17(24-21-15)18-11-12-4-2-7-14(10-12)19-16(22)13-5-3-6-13/h2,4,7,10,13H,3,5-6,8-9,11H2,1H3,(H,19,22)(H,18,20,21)
InChIKeySRKLPXNIEUYVNT-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.08
Rot. Bonds8

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

N-[3-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]cyclobutanecarboxamide (PubChem CID 133335545) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[3-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]cyclobutanecarboxamide
PubChem CID133335545
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[3-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]cyclobutanecarboxamide
SMILESCOCCc1nsc(NCc2cccc(NC(=O)C3CCC3)c2)n1
InChIInChI=1S/C17H22N4O2S/c1-23-9-8-15-20-17(24-21-15)18-11-12-4-2-7-14(10-12)19-16(22)13-5-3-6-13/h2,4,7,10,13H,3,5-6,8-9,11H2,1H3,(H,19,22)(H,18,20,21)
InChIKeySRKLPXNIEUYVNT-UHFFFAOYSA-N
XLogP3.08
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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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-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 133310369
N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride
CID 120985544
N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 60703389
2-(aminomethyl)-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119710762
6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119180393
2-(2-aminoethyl)-N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120624288
N-[3-(chloromethyl)phenyl]cyclobutanecarboxamide
CID 114293317
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 119710727
N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112752545
2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
CID 119944325

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]cyclobutanecarboxamide (CID 133335545) is N-[3-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]cyclobutanecarboxamide is COCCc1nsc(NCc2cccc(NC(=O)C3CCC3)c2)n1.
What is the InChIKey of N-[3-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]cyclobutanecarboxamide?
The InChIKey is SRKLPXNIEUYVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-23-9-8-15-20-17(24-21-15)18-11-12-4-2-7-14(10-12)19-16(22)13-5-3-6-13/h2,4,7,10,13H,3,5-6,8-9,11H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-[3-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]cyclobutanecarboxamide?
N-[3-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]cyclobutanecarboxamide has a molecular weight of 346.46 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 133335545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).