N-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methylbenzamide

C19H19FN4OS — CID 133457957

IUPACN-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNc2nnc(Cc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C19H19FN4OS/c1-13-2-6-15(7-3-13)18(25)21-10-11-22-19-24-23-17(26-19)12-14-4-8-16(20)9-5-14/h2-9H,10-12H2,1H3,(H,21,25)(H,22,24)
InChIKeyBPNQZHDMSGWKTM-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.42
Rot. Bonds7

About N-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methylbenzamide

N-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methylbenzamide (PubChem CID 133457957) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methylbenzamide
PubChem CID133457957
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC NameN-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNc2nnc(Cc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C19H19FN4OS/c1-13-2-6-15(7-3-13)18(25)21-10-11-22-19-24-23-17(26-19)12-14-4-8-16(20)9-5-14/h2-9H,10-12H2,1H3,(H,21,25)(H,22,24)
InChIKeyBPNQZHDMSGWKTM-UHFFFAOYSA-N
XLogP3.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 741030
5-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)-1,3,4-thiadiazol-2-amine
CID 133465791
3-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 133456342
2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-N-propan-2-ylacetamide
CID 133466123
1-[4-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 133456144
2-chloro-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 170911206
1-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propan-2-ol
CID 133465775
N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 11291008
N-[2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethyl]-4-methylbenzamide
CID 62961907
1-[2-(dimethylamino)ethyl]-3-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea
CID 75500132
N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3120553
5-[[(4-fluorobenzoyl)amino]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53099830

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methylbenzamide (CID 133457957) is N-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNc2nnc(Cc3ccc(F)cc3)s2)cc1.
What is the InChIKey of N-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methylbenzamide?
The InChIKey is BPNQZHDMSGWKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c1-13-2-6-15(7-3-13)18(25)21-10-11-22-19-24-23-17(26-19)12-14-4-8-16(20)9-5-14/h2-9H,10-12H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methylbenzamide?
N-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methylbenzamide has a molecular weight of 370.45 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 133457957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).