N-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide

C15H12ClN3OS2 — CID 100752637

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide
SMILESC[C@H](NC(=O)c1snnc1-c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3OS2/c1-9(10-4-6-11(16)7-5-10)17-15(20)14-13(18-19-22-14)12-3-2-8-21-12/h2-9H,1H3,(H,17,20)/t9-/m0/s1
InChIKeyABUUBJRZRFXGCY-VIFPVBQESA-N
MW349.87 g/mol
LogP4.41
Rot. Bonds4

About N-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide (PubChem CID 100752637) has the molecular formula C15H12ClN3OS2 and a molecular weight of 349.87 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide
PubChem CID100752637
Molecular FormulaC15H12ClN3OS2
Molecular Weight349.87 g/mol
Exact Mass349.01
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide
SMILESC[C@H](NC(=O)c1snnc1-c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3OS2/c1-9(10-4-6-11(16)7-5-10)17-15(20)14-13(18-19-22-14)12-3-2-8-21-12/h2-9H,1H3,(H,17,20)/t9-/m0/s1
InChIKeyABUUBJRZRFXGCY-VIFPVBQESA-N
XLogP4.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)-N-(1-phenylethyl)thiadiazole-5-carboxamide
CID 133200533
N-(4-chlorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751925
N-[(2S)-butan-2-yl]-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751536
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)thiadiazole-5-carboxamide
CID 100750325
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
N-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100752070
N-(3-chlorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751917
N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 18267936
N-(2-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751885
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7414159
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7181909

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide (CID 100752637) is N-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide is C[C@H](NC(=O)c1snnc1-c1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide?
The InChIKey is ABUUBJRZRFXGCY-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12ClN3OS2/c1-9(10-4-6-11(16)7-5-10)17-15(20)14-13(18-19-22-14)12-3-2-8-21-12/h2-9H,1H3,(H,17,20)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide has a molecular weight of 349.87 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 100752637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).