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

C18H23ClN4OS — CID 142574854

IUPACN-[5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide
SMILESCC(=O)NC(CCCCN)c1nnc(C2(c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C18H23ClN4OS/c1-12(24)21-15(4-2-3-11-20)16-22-23-17(25-16)18(9-10-18)13-5-7-14(19)8-6-13/h5-8,15H,2-4,9-11,20H2,1H3,(H,21,24)
InChIKeyOZGQCCGUIZYCIP-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.58
Rot. Bonds8

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

N-[5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide (PubChem CID 142574854) has the molecular formula C18H23ClN4OS and a molecular weight of 378.93 g/mol. Its IUPAC name is N-[5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide.

Molecular Properties

Compound NameN-[5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide
PubChem CID142574854
Molecular FormulaC18H23ClN4OS
Molecular Weight378.93 g/mol
Exact Mass378.13
IUPAC NameN-[5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide
SMILESCC(=O)NC(CCCCN)c1nnc(C2(c3ccc(Cl)cc3)CC2)s1
InChIInChI=1S/C18H23ClN4OS/c1-12(24)21-15(4-2-3-11-20)16-22-23-17(25-16)18(9-10-18)13-5-7-14(19)8-6-13/h5-8,15H,2-4,9-11,20H2,1H3,(H,21,24)
InChIKeyOZGQCCGUIZYCIP-UHFFFAOYSA-N
XLogP3.58
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.58
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-[5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide?
The IUPAC name of N-[5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide (CID 142574854) is N-[5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide.
What is the SMILES notation for N-[5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide?
The canonical SMILES for N-[5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide is CC(=O)NC(CCCCN)c1nnc(C2(c3ccc(Cl)cc3)CC2)s1.
What is the InChIKey of N-[5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide?
The InChIKey is OZGQCCGUIZYCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4OS/c1-12(24)21-15(4-2-3-11-20)16-22-23-17(25-16)18(9-10-18)13-5-7-14(19)8-6-13/h5-8,15H,2-4,9-11,20H2,1H3,(H,21,24).
What are the key properties of N-[5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide?
N-[5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide has a molecular weight of 378.93 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 142574854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).