tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate

C19H24N4O3S — CID 60600812

IUPACtert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Nc2nnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C19H24N4O3S/c1-19(2,3)26-18(25)23-11-9-13(10-12-23)15(24)20-17-22-21-16(27-17)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,20,22,24)
InChIKeyUTWCLSAAEDXCSK-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.79
Rot. Bonds3

About tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 60600812) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID60600812
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Nametert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Nc2nnc(-c3ccccc3)s2)CC1
InChIInChI=1S/C19H24N4O3S/c1-19(2,3)26-18(25)23-11-9-13(10-12-23)15(24)20-17-22-21-16(27-17)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,20,22,24)
InChIKeyUTWCLSAAEDXCSK-UHFFFAOYSA-N
XLogP3.79
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(E)-3-phenylprop-2-enoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17491972
1-(furan-3-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 35713952
tert-butyl (3S)-3-[(5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 130377054
1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27831080
bicyclo[3.1.0]hexa-1(6),2,4-triene;tert-butyl 4-[(5-acetamido-1,3,4-thiadiazol-2-yl)oxy]piperidine-1-carboxylate
CID 121256412
1-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 56808851
tert-butyl 4-[2-oxo-2-[(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-1-carboxylate
CID 56503201
tert-butyl 3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 56794868
1-cyano-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 118981045
1-(4-methylsulfanylphenyl)sulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 100710873
tert-butyl 4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]piperidine-1-carboxylate
CID 48735739
tert-butyl 4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperazine-1-carboxylate
CID 176899157

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate (CID 60600812) is tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)Nc2nnc(-c3ccccc3)s2)CC1.
What is the InChIKey of tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is UTWCLSAAEDXCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-19(2,3)26-18(25)23-11-9-13(10-12-23)15(24)20-17-22-21-16(27-17)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,20,22,24).
What are the key properties of tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 388.49 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 60600812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).