N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(azocan-1-yl)propanamide

C13H23N5OS — CID 122567369

IUPACN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(azocan-1-yl)propanamide
SMILESNc1nnc(CNC(=O)CCN2CCCCCCC2)s1
InChIInChI=1S/C13H23N5OS/c14-13-17-16-12(20-13)10-15-11(19)6-9-18-7-4-2-1-3-5-8-18/h1-10H2,(H2,14,17)(H,15,19)
InChIKeyDFPWPFQWTABMPA-UHFFFAOYSA-N
MW297.43 g/mol
LogP1.39
Rot. Bonds5

About N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(azocan-1-yl)propanamide

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(azocan-1-yl)propanamide (PubChem CID 122567369) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(azocan-1-yl)propanamide.

Molecular Properties

Compound NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(azocan-1-yl)propanamide
PubChem CID122567369
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(azocan-1-yl)propanamide
SMILESNc1nnc(CNC(=O)CCN2CCCCCCC2)s1
InChIInChI=1S/C13H23N5OS/c14-13-17-16-12(20-13)10-15-11(19)6-9-18-7-4-2-1-3-5-8-18/h1-10H2,(H2,14,17)(H,15,19)
InChIKeyDFPWPFQWTABMPA-UHFFFAOYSA-N
XLogP1.39
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide
CID 122562329
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 122557693
3-(azocan-1-yl)-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]propanamide
CID 46991432
N-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-4-piperidin-1-ylbutanamide
CID 97193327
1-[4-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 82058213
N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide
CID 110688285
2-[3-(azepan-1-yl)propanoylamino]acetic acid
CID 52983762
3-piperidin-1-yl-N-propylpropanamide
CID 110688262
1-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 82058188
N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 79209328
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(azocan-1-yl)propanamide?
The IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(azocan-1-yl)propanamide (CID 122567369) is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(azocan-1-yl)propanamide.
What is the SMILES notation for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(azocan-1-yl)propanamide?
The canonical SMILES for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(azocan-1-yl)propanamide is Nc1nnc(CNC(=O)CCN2CCCCCCC2)s1.
What is the InChIKey of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(azocan-1-yl)propanamide?
The InChIKey is DFPWPFQWTABMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c14-13-17-16-12(20-13)10-15-11(19)6-9-18-7-4-2-1-3-5-8-18/h1-10H2,(H2,14,17)(H,15,19).
What are the key properties of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(azocan-1-yl)propanamide?
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(azocan-1-yl)propanamide has a molecular weight of 297.43 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(azocan-1-yl)propanamide is sourced from PubChem (CID 122567369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).