N-[6-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide

C26H35N5O2S — CID 75586429

IUPACN-[6-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide
SMILESO=C(C=CC(CCc1ccccc1)NC(=O)C1CCCCN1)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C26H35N5O2S/c32-23(29-26-31-30-25(34-26)20-11-5-2-6-12-20)17-16-21(15-14-19-9-3-1-4-10-19)28-24(33)22-13-7-8-18-27-22/h1,3-4,9-10,16-17,20-22,27H,2,5-8,11-15,18H2,(H,28,33)(H,29,31,32)
InChIKeyYOLDFYBNSBABMN-UHFFFAOYSA-N
MW481.67 g/mol
LogP4.34
Rot. Bonds9

About N-[6-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide

N-[6-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide (PubChem CID 75586429) has the molecular formula C26H35N5O2S and a molecular weight of 481.67 g/mol. Its IUPAC name is N-[6-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide
PubChem CID75586429
Molecular FormulaC26H35N5O2S
Molecular Weight481.67 g/mol
Exact Mass481.25
IUPAC NameN-[6-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide
SMILESO=C(C=CC(CCc1ccccc1)NC(=O)C1CCCCN1)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C26H35N5O2S/c32-23(29-26-31-30-25(34-26)20-11-5-2-6-12-20)17-16-21(15-14-19-9-3-1-4-10-19)28-24(33)22-13-7-8-18-27-22/h1,3-4,9-10,16-17,20-22,27H,2,5-8,11-15,18H2,(H,28,33)(H,29,31,32)
InChIKeyYOLDFYBNSBABMN-UHFFFAOYSA-N
XLogP4.34
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.67
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(2S)-N-[(E,3S)-6-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67772621
(2S)-N-[(E,3S)-6-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67771939
N-[(E,3S)-6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide
CID 140583632
N-[(E,3S)-6-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide
CID 140583651
(2S)-N-[(3S)-6-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide
CID 67772963
(2S)-N-[(3S)-6-oxo-1-phenyl-6-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]hex-4-en-3-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 173339504
(2S)-N-[(E,3S)-6-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67772924
N-[(E,4S)-6-methyl-1-oxo-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]hept-2-en-4-yl]piperidine-2-carboxamide
CID 140583664
N-[(E,3S)-6-(2,3-dihydroindol-1-yl)-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide
CID 140583705
(2S)-4-phenyl-2-(piperidine-2-carbonylamino)butanoic acid
CID 104983399
N-[5-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]-5-oxopent-3-en-2-yl]piperidine-2-carboxamide
CID 123596455
N-(4-phenylbutan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119262921

Frequently Asked Questions

What is the IUPAC name of N-[6-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide?
The IUPAC name of N-[6-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide (CID 75586429) is N-[6-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide.
What is the SMILES notation for N-[6-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide?
The canonical SMILES for N-[6-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide is O=C(C=CC(CCc1ccccc1)NC(=O)C1CCCCN1)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of N-[6-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide?
The InChIKey is YOLDFYBNSBABMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2S/c32-23(29-26-31-30-25(34-26)20-11-5-2-6-12-20)17-16-21(15-14-19-9-3-1-4-10-19)28-24(33)22-13-7-8-18-27-22/h1,3-4,9-10,16-17,20-22,27H,2,5-8,11-15,18H2,(H,28,33)(H,29,31,32).
What are the key properties of N-[6-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide?
N-[6-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide has a molecular weight of 481.67 g/mol, XLogP of 4.34, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)amino]-6-oxo-1-phenylhex-4-en-3-yl]piperidine-2-carboxamide is sourced from PubChem (CID 75586429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).