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

C15H17FN4OS — CID 34090083

IUPACN-[(4-fluorophenyl)methyl]-5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nnc(CN2CCCC2)s1
InChIInChI=1S/C15H17FN4OS/c16-12-5-3-11(4-6-12)9-17-14(21)15-19-18-13(22-15)10-20-7-1-2-8-20/h3-6H,1-2,7-10H2,(H,17,21)
InChIKeyQCCFYYZPVCZJIV-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.20
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 34090083) has the molecular formula C15H17FN4OS and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID34090083
Molecular FormulaC15H17FN4OS
Molecular Weight320.39 g/mol
Exact Mass320.11
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1nnc(CN2CCCC2)s1
InChIInChI=1S/C15H17FN4OS/c16-12-5-3-11(4-6-12)9-17-14(21)15-19-18-13(22-15)10-20-7-1-2-8-20/h3-6H,1-2,7-10H2,(H,17,21)
InChIKeyQCCFYYZPVCZJIV-UHFFFAOYSA-N
XLogP2.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-5-(pyrrolidin-1-ylmethyl)-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

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (CID 34090083) is N-[(4-fluorophenyl)methyl]-5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is O=C(NCc1ccc(F)cc1)c1nnc(CN2CCCC2)s1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is QCCFYYZPVCZJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS/c16-12-5-3-11(4-6-12)9-17-14(21)15-19-18-13(22-15)10-20-7-1-2-8-20/h3-6H,1-2,7-10H2,(H,17,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
N-[(4-fluorophenyl)methyl]-5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 34090083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).