[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-piperidin-1-ylmethanone

C18H22N4OS — CID 127417891

IUPAC[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(CNc2nc(C3CC3)ns2)cc1)N1CCCCC1
InChIInChI=1S/C18H22N4OS/c23-17(22-10-2-1-3-11-22)15-6-4-13(5-7-15)12-19-18-20-16(21-24-18)14-8-9-14/h4-7,14H,1-3,8-12H2,(H,19,20,21)
InChIKeySQHNRYWMEPPGKK-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.65
Rot. Bonds5

About [4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-piperidin-1-ylmethanone

[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 127417891) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is [4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-piperidin-1-ylmethanone
PubChem CID127417891
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(CNc2nc(C3CC3)ns2)cc1)N1CCCCC1
InChIInChI=1S/C18H22N4OS/c23-17(22-10-2-1-3-11-22)15-6-4-13(5-7-15)12-19-18-20-16(21-24-18)14-8-9-14/h4-7,14H,1-3,8-12H2,(H,19,20,21)
InChIKeySQHNRYWMEPPGKK-UHFFFAOYSA-N
XLogP3.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
[4-[(4-cyclopropyl-3-fluoroanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 119047392
[4-[[(2-chloro-4-pyridinyl)amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 133373184
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119694800
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159694
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
methyl 2-methyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-carboxylate
CID 133432389
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154903655
N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride
CID 119375294
(2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide
CID 125158287

Frequently Asked Questions

What is the IUPAC name of [4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-piperidin-1-ylmethanone (CID 127417891) is [4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(CNc2nc(C3CC3)ns2)cc1)N1CCCCC1.
What is the InChIKey of [4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is SQHNRYWMEPPGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c23-17(22-10-2-1-3-11-22)15-6-4-13(5-7-15)12-19-18-20-16(21-24-18)14-8-9-14/h4-7,14H,1-3,8-12H2,(H,19,20,21).
What are the key properties of [4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-piperidin-1-ylmethanone?
[4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 342.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 127417891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).