N-[(1S)-5-amino-1-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pentyl]acetamide

C15H19ClN4OS — CID 138601467

IUPACN-[(1S)-5-amino-1-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pentyl]acetamide
SMILESCC(=O)N[C@@H](CCCCN)c1nnc(-c2ccccc2Cl)s1
InChIInChI=1S/C15H19ClN4OS/c1-10(21)18-13(8-4-5-9-17)15-20-19-14(22-15)11-6-2-3-7-12(11)16/h2-3,6-7,13H,4-5,8-9,17H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyGGYJGCJECNTLDV-ZDUSSCGKSA-N
MW338.86 g/mol
LogP3.16
Rot. Bonds7

About N-[(1S)-5-amino-1-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pentyl]acetamide

N-[(1S)-5-amino-1-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pentyl]acetamide (PubChem CID 138601467) has the molecular formula C15H19ClN4OS and a molecular weight of 338.86 g/mol. Its IUPAC name is N-[(1S)-5-amino-1-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pentyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-5-amino-1-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pentyl]acetamide
PubChem CID138601467
Molecular FormulaC15H19ClN4OS
Molecular Weight338.86 g/mol
Exact Mass338.10
IUPAC NameN-[(1S)-5-amino-1-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pentyl]acetamide
SMILESCC(=O)N[C@@H](CCCCN)c1nnc(-c2ccccc2Cl)s1
InChIInChI=1S/C15H19ClN4OS/c1-10(21)18-13(8-4-5-9-17)15-20-19-14(22-15)11-6-2-3-7-12(11)16/h2-3,6-7,13H,4-5,8-9,17H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyGGYJGCJECNTLDV-ZDUSSCGKSA-N
XLogP3.16
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-amino-1-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pentyl]acetamide?
The IUPAC name of N-[(1S)-5-amino-1-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pentyl]acetamide (CID 138601467) is N-[(1S)-5-amino-1-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pentyl]acetamide.
What is the SMILES notation for N-[(1S)-5-amino-1-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pentyl]acetamide?
The canonical SMILES for N-[(1S)-5-amino-1-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pentyl]acetamide is CC(=O)N[C@@H](CCCCN)c1nnc(-c2ccccc2Cl)s1.
What is the InChIKey of N-[(1S)-5-amino-1-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pentyl]acetamide?
The InChIKey is GGYJGCJECNTLDV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19ClN4OS/c1-10(21)18-13(8-4-5-9-17)15-20-19-14(22-15)11-6-2-3-7-12(11)16/h2-3,6-7,13H,4-5,8-9,17H2,1H3,(H,18,21)/t13-/m0/s1.
What are the key properties of N-[(1S)-5-amino-1-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pentyl]acetamide?
N-[(1S)-5-amino-1-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pentyl]acetamide has a molecular weight of 338.86 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5-amino-1-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 138601467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).