N-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide

C14H16BrN3OS — CID 65205384

IUPACN-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrN3OS/c1-3-4-12-13(20-18-17-12)14(19)16-9(2)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,19)
InChIKeyOCQAOZHSKGNJSP-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.74
Rot. Bonds5

About N-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide

N-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 65205384) has the molecular formula C14H16BrN3OS and a molecular weight of 354.27 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide
PubChem CID65205384
Molecular FormulaC14H16BrN3OS
Molecular Weight354.27 g/mol
Exact Mass353.02
IUPAC NameN-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C14H16BrN3OS/c1-3-4-12-13(20-18-17-12)14(19)16-9(2)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,19)
InChIKeyOCQAOZHSKGNJSP-UHFFFAOYSA-N
XLogP3.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.74
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
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide
CID 125446947
N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide
CID 114308874
(2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65205940
4-(4-bromophenyl)-N-[(2S)-pentan-2-yl]thiadiazole-5-carboxamide
CID 100751260
N-(3-bromobutyl)-4-propylthiadiazole-5-carboxamide
CID 114312667
(2R)-4-amino-4-oxo-2-[(4-propylthiadiazole-5-carbonyl)amino]butanoic acid
CID 114004767
N-(1-cyanopropyl)-4-propylthiadiazole-5-carboxamide
CID 65204910
4-(4-bromophenyl)-N-butan-2-ylthiadiazole-5-carboxamide
CID 133200556
4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide
CID 34815435
N-[(1R)-1-(2,5-difluorophenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 51935776

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide (CID 65205384) is N-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NC(C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is OCQAOZHSKGNJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS/c1-3-4-12-13(20-18-17-12)14(19)16-9(2)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3,(H,16,19).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide?
N-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 354.27 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65205384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).