N-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-piperidin-1-ylbutanamide

C13H23N5OS — CID 97193327

IUPACN-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-piperidin-1-ylbutanamide
SMILESC[C@@H](NC(=O)CCCN1CCCCC1)c1nnc(N)s1
InChIInChI=1S/C13H23N5OS/c1-10(12-16-17-13(14)20-12)15-11(19)6-5-9-18-7-3-2-4-8-18/h10H,2-9H2,1H3,(H2,14,17)(H,15,19)/t10-/m1/s1
InChIKeyFINDFICWXVRBFN-SNVBAGLBSA-N
MW297.43 g/mol
LogP1.56
Rot. Bonds6

About N-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-piperidin-1-ylbutanamide

N-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-piperidin-1-ylbutanamide (PubChem CID 97193327) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is N-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-piperidin-1-ylbutanamide
PubChem CID97193327
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC NameN-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-piperidin-1-ylbutanamide
SMILESC[C@@H](NC(=O)CCCN1CCCCC1)c1nnc(N)s1
InChIInChI=1S/C13H23N5OS/c1-10(12-16-17-13(14)20-12)15-11(19)6-5-9-18-7-3-2-4-8-18/h10H,2-9H2,1H3,(H2,14,17)(H,15,19)/t10-/m1/s1
InChIKeyFINDFICWXVRBFN-SNVBAGLBSA-N
XLogP1.56
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(azocan-1-yl)propanamide
CID 122567369
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(1-benzylpiperidin-4-yl)acetamide
CID 124752195
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 91828742
N-(2-methylpropyl)-6-piperidin-1-ylhexanamide
CID 57093766
(2R)-2-[4-(azepan-1-yl)butanoylamino]-3-hydroxypropanoic acid
CID 126447638
methyl 4-(azocan-1-yl)butanoate
CID 43377737
N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 126428451
3-(azocan-1-yl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]propanamide
CID 124755036
ethyl 4-piperidin-1-ylbutanoate
CID 14044356
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide
CID 72852420
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide
CID 91787907
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide
CID 122562329

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-piperidin-1-ylbutanamide (CID 97193327) is N-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-piperidin-1-ylbutanamide is C[C@@H](NC(=O)CCCN1CCCCC1)c1nnc(N)s1.
What is the InChIKey of N-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-piperidin-1-ylbutanamide?
The InChIKey is FINDFICWXVRBFN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-10(12-16-17-13(14)20-12)15-11(19)6-5-9-18-7-3-2-4-8-18/h10H,2-9H2,1H3,(H2,14,17)(H,15,19)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-piperidin-1-ylbutanamide?
N-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-piperidin-1-ylbutanamide has a molecular weight of 297.43 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 97193327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).