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

C16H17ClFN3OS — CID 25190401

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-4-cyclohexylthiadiazole-5-carboxamide
SMILESO=C(NCc1c(F)cccc1Cl)c1snnc1C1CCCCC1
InChIInChI=1S/C16H17ClFN3OS/c17-12-7-4-8-13(18)11(12)9-19-16(22)15-14(20-21-23-15)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,19,22)
InChIKeyGHTSPWIEKRJSIO-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.31
Rot. Bonds4

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

N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclohexylthiadiazole-5-carboxamide (PubChem CID 25190401) has the molecular formula C16H17ClFN3OS and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclohexylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-4-cyclohexylthiadiazole-5-carboxamide
PubChem CID25190401
Molecular FormulaC16H17ClFN3OS
Molecular Weight353.85 g/mol
Exact Mass353.08
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-4-cyclohexylthiadiazole-5-carboxamide
SMILESO=C(NCc1c(F)cccc1Cl)c1snnc1C1CCCCC1
InChIInChI=1S/C16H17ClFN3OS/c17-12-7-4-8-13(18)11(12)9-19-16(22)15-14(20-21-23-15)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,19,22)
InChIKeyGHTSPWIEKRJSIO-UHFFFAOYSA-N
XLogP4.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.31
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-cyclohexylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclohexylthiadiazole-5-carboxamide (CID 25190401) is N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclohexylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclohexylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclohexylthiadiazole-5-carboxamide is O=C(NCc1c(F)cccc1Cl)c1snnc1C1CCCCC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclohexylthiadiazole-5-carboxamide?
The InChIKey is GHTSPWIEKRJSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3OS/c17-12-7-4-8-13(18)11(12)9-19-16(22)15-14(20-21-23-15)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,19,22).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclohexylthiadiazole-5-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyclohexylthiadiazole-5-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 4.31, 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-cyclohexylthiadiazole-5-carboxamide is sourced from PubChem (CID 25190401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).