N-[(1S)-6-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]hexyl]acetamide

C19H25ClN4OS — CID 154988212

IUPACN-[(1S)-6-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]hexyl]acetamide
SMILESCC(=O)N[C@@H](CCCCCN)c1nnc(C2(c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C19H25ClN4OS/c1-13(25)22-16(5-3-2-4-12-21)17-23-24-18(26-17)19(10-11-19)14-6-8-15(20)9-7-14/h6-9,16H,2-5,10-12,21H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyUEAJZQLZHKPKHB-INIZCTEOSA-N
MW392.96 g/mol
LogP3.97
Rot. Bonds9

About N-[(1S)-6-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]hexyl]acetamide

N-[(1S)-6-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]hexyl]acetamide (PubChem CID 154988212) has the molecular formula C19H25ClN4OS and a molecular weight of 392.96 g/mol. Its IUPAC name is N-[(1S)-6-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]hexyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-6-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]hexyl]acetamide
PubChem CID154988212
Molecular FormulaC19H25ClN4OS
Molecular Weight392.96 g/mol
Exact Mass392.14
IUPAC NameN-[(1S)-6-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]hexyl]acetamide
SMILESCC(=O)N[C@@H](CCCCCN)c1nnc(C2(c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C19H25ClN4OS/c1-13(25)22-16(5-3-2-4-12-21)17-23-24-18(26-17)19(10-11-19)14-6-8-15(20)9-7-14/h6-9,16H,2-5,10-12,21H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyUEAJZQLZHKPKHB-INIZCTEOSA-N
XLogP3.97
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.96
LogP ≤ 53.97
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)-6-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]hexyl]acetamide?
The IUPAC name of N-[(1S)-6-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]hexyl]acetamide (CID 154988212) is N-[(1S)-6-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]hexyl]acetamide.
What is the SMILES notation for N-[(1S)-6-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]hexyl]acetamide?
The canonical SMILES for N-[(1S)-6-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]hexyl]acetamide is CC(=O)N[C@@H](CCCCCN)c1nnc(C2(c3ccc(Cl)cc3)CC2)s1.
What is the InChIKey of N-[(1S)-6-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]hexyl]acetamide?
The InChIKey is UEAJZQLZHKPKHB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25ClN4OS/c1-13(25)22-16(5-3-2-4-12-21)17-23-24-18(26-17)19(10-11-19)14-6-8-15(20)9-7-14/h6-9,16H,2-5,10-12,21H2,1H3,(H,22,25)/t16-/m0/s1.
What are the key properties of N-[(1S)-6-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]hexyl]acetamide?
N-[(1S)-6-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]hexyl]acetamide has a molecular weight of 392.96 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-6-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]hexyl]acetamide is sourced from PubChem (CID 154988212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).