N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide

C13H11ClFN3OS — CID 25190399

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide
SMILESO=C(NCc1c(F)cccc1Cl)c1snnc1C1CC1
InChIInChI=1S/C13H11ClFN3OS/c14-9-2-1-3-10(15)8(9)6-16-13(19)12-11(7-4-5-7)17-18-20-12/h1-3,7H,4-6H2,(H,16,19)
InChIKeyFNVUNLYJRPCHRG-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.14
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide (PubChem CID 25190399) has the molecular formula C13H11ClFN3OS and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide
PubChem CID25190399
Molecular FormulaC13H11ClFN3OS
Molecular Weight311.77 g/mol
Exact Mass311.03
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide
SMILESO=C(NCc1c(F)cccc1Cl)c1snnc1C1CC1
InChIInChI=1S/C13H11ClFN3OS/c14-9-2-1-3-10(15)8(9)6-16-13(19)12-11(7-4-5-7)17-18-20-12/h1-3,7H,4-6H2,(H,16,19)
InChIKeyFNVUNLYJRPCHRG-UHFFFAOYSA-N
XLogP3.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide (CID 25190399) is N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide is O=C(NCc1c(F)cccc1Cl)c1snnc1C1CC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide?
The InChIKey is FNVUNLYJRPCHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3OS/c14-9-2-1-3-10(15)8(9)6-16-13(19)12-11(7-4-5-7)17-18-20-12/h1-3,7H,4-6H2,(H,16,19).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclopropylthiadiazole-5-carboxamide is sourced from PubChem (CID 25190399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).