N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pentanamide

C15H24N4O2S2 — CID 24892681

IUPACN-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nnc(SCC(=O)NC2CCCCC2)s1
InChIInChI=1S/C15H24N4O2S2/c1-2-3-9-12(20)17-14-18-19-15(23-14)22-10-13(21)16-11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H,16,21)(H,17,18,20)
InChIKeyHIUDNHBXWCBYFF-UHFFFAOYSA-N
MW356.52 g/mol
LogP3.21
Rot. Bonds8

About N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pentanamide

N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pentanamide (PubChem CID 24892681) has the molecular formula C15H24N4O2S2 and a molecular weight of 356.52 g/mol. Its IUPAC name is N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pentanamide
PubChem CID24892681
Molecular FormulaC15H24N4O2S2
Molecular Weight356.52 g/mol
Exact Mass356.13
IUPAC NameN-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nnc(SCC(=O)NC2CCCCC2)s1
InChIInChI=1S/C15H24N4O2S2/c1-2-3-9-12(20)17-14-18-19-15(23-14)22-10-13(21)16-11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H,16,21)(H,17,18,20)
InChIKeyHIUDNHBXWCBYFF-UHFFFAOYSA-N
XLogP3.21
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pentanamide?
The IUPAC name of N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pentanamide (CID 24892681) is N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pentanamide.
What is the SMILES notation for N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pentanamide?
The canonical SMILES for N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pentanamide is CCCCC(=O)Nc1nnc(SCC(=O)NC2CCCCC2)s1.
What is the InChIKey of N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pentanamide?
The InChIKey is HIUDNHBXWCBYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S2/c1-2-3-9-12(20)17-14-18-19-15(23-14)22-10-13(21)16-11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H,16,21)(H,17,18,20).
What are the key properties of N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pentanamide?
N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pentanamide has a molecular weight of 356.52 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]pentanamide is sourced from PubChem (CID 24892681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).