N-[(2-fluorophenyl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

C13H15FN4OS — CID 80615441

IUPACN-[(2-fluorophenyl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)NCc2ccccc2F)s1
InChIInChI=1S/C13H15FN4OS/c1-2-7-15-13-18-17-12(20-13)11(19)16-8-9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H,15,18)(H,16,19)
InChIKeyLQCACKXBEXRLDQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.43
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

N-[(2-fluorophenyl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615441) has the molecular formula C13H15FN4OS and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615441
Molecular FormulaC13H15FN4OS
Molecular Weight294.35 g/mol
Exact Mass294.10
IUPAC NameN-[(2-fluorophenyl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)NCc2ccccc2F)s1
InChIInChI=1S/C13H15FN4OS/c1-2-7-15-13-18-17-12(20-13)11(19)16-8-9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H,15,18)(H,16,19)
InChIKeyLQCACKXBEXRLDQ-UHFFFAOYSA-N
XLogP2.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-fluorophenyl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide 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-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619618
N-(2-bromophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615873
N-[2-(ethylamino)-2-oxoethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615555
N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62166042
N-(4-methylpentyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616901
N-(4-bromo-2-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618111
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106377361
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 46327515
N-[2-(tert-butylamino)-2-oxoethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 115357213
N-[3-(methanesulfonamido)propyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106342390
N-[1-(4-fluorophenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618061
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80615441) is N-[(2-fluorophenyl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)NCc2ccccc2F)s1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is LQCACKXBEXRLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4OS/c1-2-7-15-13-18-17-12(20-13)11(19)16-8-9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-[(2-fluorophenyl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N-[(2-fluorophenyl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).