N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide

C17H13ClFN3OS — CID 100750325

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1snnc1-c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClFN3OS/c1-10(11-2-6-13(18)7-3-11)20-17(23)16-15(21-22-24-16)12-4-8-14(19)9-5-12/h2-10H,1H3,(H,20,23)/t10-/m1/s1
InChIKeyYOWAILWBIDXPRG-SNVBAGLBSA-N
MW361.83 g/mol
LogP4.49
Rot. Bonds4

About N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide (PubChem CID 100750325) has the molecular formula C17H13ClFN3OS and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide
PubChem CID100750325
Molecular FormulaC17H13ClFN3OS
Molecular Weight361.83 g/mol
Exact Mass361.05
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1snnc1-c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClFN3OS/c1-10(11-2-6-13(18)7-3-11)20-17(23)16-15(21-22-24-16)12-4-8-14(19)9-5-12/h2-10H,1H3,(H,20,23)/t10-/m1/s1
InChIKeyYOWAILWBIDXPRG-SNVBAGLBSA-N
XLogP4.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-N-[1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide
CID 133200562
4-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]thiadiazole-5-carboxamide
CID 100751426
4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide
CID 133200533
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100752637
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
3,4-dichloro-N-[1-[4-(4-chlorophenyl)phenyl]ethyl]-1,2-thiazole-5-carboxamide
CID 70903593
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 59672700
4-(4-methylphenyl)-N-[(2R)-pentan-2-yl]thiadiazole-5-carboxamide
CID 100749107
N-benzhydryl-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100749195
butan-2-yl 4-(4-fluorophenyl)thiadiazole-5-carboxylate
CID 133219844
4-(4-chlorophenyl)-N-(3-methoxypropyl)thiadiazole-5-carboxamide
CID 100747676

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide (CID 100750325) is N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide is C[C@@H](NC(=O)c1snnc1-c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide?
The InChIKey is YOWAILWBIDXPRG-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H13ClFN3OS/c1-10(11-2-6-13(18)7-3-11)20-17(23)16-15(21-22-24-16)12-4-8-14(19)9-5-12/h2-10H,1H3,(H,20,23)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100750325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).