(3S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1-(oxan-4-yl)piperidine-3-carboxamide

C16H27N5O2S — CID 97188368

IUPAC(3S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESNc1nnc(CCCNC(=O)[C@H]2CCCN(C3CCOCC3)C2)s1
InChIInChI=1S/C16H27N5O2S/c17-16-20-19-14(24-16)4-1-7-18-15(22)12-3-2-8-21(11-12)13-5-9-23-10-6-13/h12-13H,1-11H2,(H2,17,20)(H,18,22)/t12-/m0/s1
InChIKeyVRDCQOZVUULSMG-LBPRGKRZSA-N
MW353.49 g/mol
LogP1.06
Rot. Bonds6

About (3S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1-(oxan-4-yl)piperidine-3-carboxamide

(3S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 97188368) has the molecular formula C16H27N5O2S and a molecular weight of 353.49 g/mol. Its IUPAC name is (3S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID97188368
Molecular FormulaC16H27N5O2S
Molecular Weight353.49 g/mol
Exact Mass353.19
IUPAC Name(3S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESNc1nnc(CCCNC(=O)[C@H]2CCCN(C3CCOCC3)C2)s1
InChIInChI=1S/C16H27N5O2S/c17-16-20-19-14(24-16)4-1-7-18-15(22)12-3-2-8-21(11-12)13-5-9-23-10-6-13/h12-13H,1-11H2,(H2,17,20)(H,18,22)/t12-/m0/s1
InChIKeyVRDCQOZVUULSMG-LBPRGKRZSA-N
XLogP1.06
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 72885646
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 72890644
(3S)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97198838
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 118770462
N-[2-(1H-imidazol-5-yl)ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 72876993
N-(2-aminoethyl)-1-(oxolan-3-yl)piperidine-3-carboxamide
CID 63333083
(3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97193281
(3R,6S)-1-acetyl-6-amino-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]azepane-3-carboxamide;hydrochloride
CID 166600310
(3R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 136916442
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-1-cyclopentylpiperidine-3-carboxamide
CID 72937895
(3R)-1-acetyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97188621
1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 82058188

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1-(oxan-4-yl)piperidine-3-carboxamide (CID 97188368) is (3S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1-(oxan-4-yl)piperidine-3-carboxamide is Nc1nnc(CCCNC(=O)[C@H]2CCCN(C3CCOCC3)C2)s1.
What is the InChIKey of (3S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is VRDCQOZVUULSMG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H27N5O2S/c17-16-20-19-14(24-16)4-1-7-18-15(22)12-3-2-8-21(11-12)13-5-9-23-10-6-13/h12-13H,1-11H2,(H2,17,20)(H,18,22)/t12-/m0/s1.
What are the key properties of (3S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
(3S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1-(oxan-4-yl)piperidine-3-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 97188368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).