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

C18H23ClN4OS — CID 138601453

IUPACN-[(1S)-5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide
SMILESCC(=O)N[C@@H](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)/t15-/m0/s1
InChIKeyOZGQCCGUIZYCIP-HNNXBMFYSA-N
MW378.93 g/mol
LogP3.58
Rot. Bonds8

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

N-[(1S)-5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide (PubChem CID 138601453) has the molecular formula C18H23ClN4OS and a molecular weight of 378.93 g/mol. Its IUPAC name is N-[(1S)-5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide
PubChem CID138601453
Molecular FormulaC18H23ClN4OS
Molecular Weight378.93 g/mol
Exact Mass378.13
IUPAC NameN-[(1S)-5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide
SMILESCC(=O)N[C@@H](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)/t15-/m0/s1
InChIKeyOZGQCCGUIZYCIP-HNNXBMFYSA-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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Related Compounds

1-(3-chlorophenyl)-3-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]cyclobutane-1-carboxamide
CID 137992175
N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 138034935
5-[[3-(4-chlorophenyl)pentan-3-ylamino]methyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 56390551
5-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-1,3,4-thiadiazole-2-carboxamide
CID 57113789
5-[1-[(4-Chlorophenyl)methylamino]ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 68836951
N-[2-(4-aminophenyl)-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]ethyl]acetamide
CID 138586593
N-[2-[4-(aminomethyl)phenyl]-1-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide
CID 138586648
N-[(1S)-5-amino-1-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pentyl]acetamide
CID 138601467
N-[5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide
CID 142574854
N-[5-amino-1-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pentyl]acetamide
CID 142574916
N-[(1S)-6-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]hexyl]acetamide
CID 154988212
N-[2-(4-chlorophenyl)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 5198008

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide?
The IUPAC name of N-[(1S)-5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide (CID 138601453) is N-[(1S)-5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide.
What is the SMILES notation for N-[(1S)-5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide?
The canonical SMILES for N-[(1S)-5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide is CC(=O)N[C@@H](CCCCN)c1nnc(C2(c3ccc(Cl)cc3)CC2)s1.
What is the InChIKey of N-[(1S)-5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide?
The InChIKey is OZGQCCGUIZYCIP-HNNXBMFYSA-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)/t15-/m0/s1.
What are the key properties of N-[(1S)-5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide?
N-[(1S)-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-[(1S)-5-amino-1-[5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 138601453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).