2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]propanamide

C14H13FN4OS3 — CID 5064440

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(SC1=NCCS1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C14H13FN4OS3/c1-8(22-14-16-6-7-21-14)11(20)17-13-19-18-12(23-13)9-2-4-10(15)5-3-9/h2-5,8H,6-7H2,1H3,(H,17,19,20)
InChIKeyNLCSFOKABJPWNJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.51
Rot. Bonds4

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]propanamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 5064440) has the molecular formula C14H13FN4OS3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID5064440
Molecular FormulaC14H13FN4OS3
Molecular Weight368.48 g/mol
Exact Mass368.02
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(SC1=NCCS1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C14H13FN4OS3/c1-8(22-14-16-6-7-21-14)11(20)17-13-19-18-12(23-13)9-2-4-10(15)5-3-9/h2-5,8H,6-7H2,1H3,(H,17,19,20)
InChIKeyNLCSFOKABJPWNJ-UHFFFAOYSA-N
XLogP3.51
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(4-fluorophenyl)-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-(5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 4116600
N-[5-[(4-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 879486
3-Methyl-but-2-enoic acid (5-phenyl-[1,3,4]thiadiazol-2-yl)-amide
CID 1451458
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 4170820
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyheptanediamide
CID 118716289
2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 135439749
4-(azepan-1-yl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 164619868
2-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 1451473
N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 753765
US11014912, Example 63
CID 141757198
US11014912, Example 41
CID 141757215
US11014912, Example 64
CID 141757253

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 5064440) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]propanamide is CC(SC1=NCCS1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is NLCSFOKABJPWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4OS3/c1-8(22-14-16-6-7-21-14)11(20)17-13-19-18-12(23-13)9-2-4-10(15)5-3-9/h2-5,8H,6-7H2,1H3,(H,17,19,20).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]propanamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 5064440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).