N-cyclopropyl-N-[5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide

C18H17FN4O2S2 — CID 24668379

IUPACN-cyclopropyl-N-[5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)N(c1nnc(SCc2coc(-c3ccc(F)cc3)n2)s1)C1CC1
InChIInChI=1S/C18H17FN4O2S2/c1-2-15(24)23(14-7-8-14)17-21-22-18(27-17)26-10-13-9-25-16(20-13)11-3-5-12(19)6-4-11/h3-6,9,14H,2,7-8,10H2,1H3
InChIKeyUPUGNGPZELHZKY-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.53
Rot. Bonds7

About N-cyclopropyl-N-[5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide

N-cyclopropyl-N-[5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 24668379) has the molecular formula C18H17FN4O2S2 and a molecular weight of 404.49 g/mol. Its IUPAC name is N-cyclopropyl-N-[5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID24668379
Molecular FormulaC18H17FN4O2S2
Molecular Weight404.49 g/mol
Exact Mass404.08
IUPAC NameN-cyclopropyl-N-[5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)N(c1nnc(SCc2coc(-c3ccc(F)cc3)n2)s1)C1CC1
InChIInChI=1S/C18H17FN4O2S2/c1-2-15(24)23(14-7-8-14)17-21-22-18(27-17)26-10-13-9-25-16(20-13)11-3-5-12(19)6-4-11/h3-6,9,14H,2,7-8,10H2,1H3
InChIKeyUPUGNGPZELHZKY-UHFFFAOYSA-N
XLogP4.53
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze N-cyclopropyl-N-[5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide 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-cyclopropyl-N-[5-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 39965741
(2R)-2-[[5-[cyclopropyl(propanoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 8783389
N-cyclopropyl-N-[5-(quinolin-8-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 16580465
2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid
CID 60835152
2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid
CID 119195424
N-cyclopropyl-N-[5-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 16580464
N-[(4-fluorophenyl)methyl]-5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 24666079
N-cyclopropyl-N-[5-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 8783214
N-cyclopropyl-N-[5-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 18131856
N-[5-[2-[5-(2-amino-2-oxoethyl)thiophen-2-yl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-N-cyclopropylpropanamide
CID 9171400
N-cyclopropyl-N-[5-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 8783299
2-[[5-[cyclopropyl(propanoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2,5-difluorophenyl)propanamide
CID 18092271

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-cyclopropyl-N-[5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 24668379) is N-cyclopropyl-N-[5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-N-[5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-cyclopropyl-N-[5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)N(c1nnc(SCc2coc(-c3ccc(F)cc3)n2)s1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is UPUGNGPZELHZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S2/c1-2-15(24)23(14-7-8-14)17-21-22-18(27-17)26-10-13-9-25-16(20-13)11-3-5-12(19)6-4-11/h3-6,9,14H,2,7-8,10H2,1H3.
What are the key properties of N-cyclopropyl-N-[5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide?
N-cyclopropyl-N-[5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 404.49 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 24668379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).