N-(3-amino-1,2,4-thiadiazol-5-yl)-4-[(4-chloro-2-fluorophenyl)methyl]piperidine-1-carboxamide

C15H17ClFN5OS — CID 138608804

IUPACN-(3-amino-1,2,4-thiadiazol-5-yl)-4-[(4-chloro-2-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESNc1nsc(NC(=O)N2CCC(Cc3ccc(Cl)cc3F)CC2)n1
InChIInChI=1S/C15H17ClFN5OS/c16-11-2-1-10(12(17)8-11)7-9-3-5-22(6-4-9)15(23)20-14-19-13(18)21-24-14/h1-2,8-9H,3-7H2,(H3,18,19,20,21,23)
InChIKeyAKLFVNWYHMXQRB-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.40
Rot. Bonds3

About N-(3-amino-1,2,4-thiadiazol-5-yl)-4-[(4-chloro-2-fluorophenyl)methyl]piperidine-1-carboxamide

N-(3-amino-1,2,4-thiadiazol-5-yl)-4-[(4-chloro-2-fluorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 138608804) has the molecular formula C15H17ClFN5OS and a molecular weight of 369.85 g/mol. Its IUPAC name is N-(3-amino-1,2,4-thiadiazol-5-yl)-4-[(4-chloro-2-fluorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-1,2,4-thiadiazol-5-yl)-4-[(4-chloro-2-fluorophenyl)methyl]piperidine-1-carboxamide
PubChem CID138608804
Molecular FormulaC15H17ClFN5OS
Molecular Weight369.85 g/mol
Exact Mass369.08
IUPAC NameN-(3-amino-1,2,4-thiadiazol-5-yl)-4-[(4-chloro-2-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESNc1nsc(NC(=O)N2CCC(Cc3ccc(Cl)cc3F)CC2)n1
InChIInChI=1S/C15H17ClFN5OS/c16-11-2-1-10(12(17)8-11)7-9-3-5-22(6-4-9)15(23)20-14-19-13(18)21-24-14/h1-2,8-9H,3-7H2,(H3,18,19,20,21,23)
InChIKeyAKLFVNWYHMXQRB-UHFFFAOYSA-N
XLogP3.40
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1,2,4-thiadiazol-5-yl)-4-[(4-chloro-2-fluorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-amino-1,2,4-thiadiazol-5-yl)-4-[(4-chloro-2-fluorophenyl)methyl]piperidine-1-carboxamide (CID 138608804) is N-(3-amino-1,2,4-thiadiazol-5-yl)-4-[(4-chloro-2-fluorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-amino-1,2,4-thiadiazol-5-yl)-4-[(4-chloro-2-fluorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-amino-1,2,4-thiadiazol-5-yl)-4-[(4-chloro-2-fluorophenyl)methyl]piperidine-1-carboxamide is Nc1nsc(NC(=O)N2CCC(Cc3ccc(Cl)cc3F)CC2)n1.
What is the InChIKey of N-(3-amino-1,2,4-thiadiazol-5-yl)-4-[(4-chloro-2-fluorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is AKLFVNWYHMXQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN5OS/c16-11-2-1-10(12(17)8-11)7-9-3-5-22(6-4-9)15(23)20-14-19-13(18)21-24-14/h1-2,8-9H,3-7H2,(H3,18,19,20,21,23).
What are the key properties of N-(3-amino-1,2,4-thiadiazol-5-yl)-4-[(4-chloro-2-fluorophenyl)methyl]piperidine-1-carboxamide?
N-(3-amino-1,2,4-thiadiazol-5-yl)-4-[(4-chloro-2-fluorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1,2,4-thiadiazol-5-yl)-4-[(4-chloro-2-fluorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 138608804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).