N-[(3-bromophenyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide

C14H16BrN3OS — CID 65205282

IUPACN-[(3-bromophenyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C14H16BrN3OS/c1-3-5-12-13(20-17-16-12)14(19)18(2)9-10-6-4-7-11(15)8-10/h4,6-8H,3,5,9H2,1-2H3
InChIKeyWPXQPBCTWGGFPK-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.53
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide

N-[(3-bromophenyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide (PubChem CID 65205282) has the molecular formula C14H16BrN3OS and a molecular weight of 354.27 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide
PubChem CID65205282
Molecular FormulaC14H16BrN3OS
Molecular Weight354.27 g/mol
Exact Mass353.02
IUPAC NameN-[(3-bromophenyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C14H16BrN3OS/c1-3-5-12-13(20-17-16-12)14(19)18(2)9-10-6-4-7-11(15)8-10/h4,6-8H,3,5,9H2,1-2H3
InChIKeyWPXQPBCTWGGFPK-UHFFFAOYSA-N
XLogP3.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanone
CID 105079140
N-[(3-bromophenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 104626014
N-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide
CID 65204972
4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 55104192
N-[(3-bromophenyl)methyl]-4-hydroxy-N,3-dimethylbenzamide
CID 103956433
2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide
CID 60736552
2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615108
N-[(3-bromophenyl)methyl]-N-methyloctanamide
CID 63531668
2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
CID 107982324
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014
N-[(3-bromophenyl)methyl]-2,6-difluoro-N,3-dimethylbenzamide
CID 82797938
2-(3-bromo-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanone
CID 105118151

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide (CID 65205282) is N-[(3-bromophenyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)N(C)Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide?
The InChIKey is WPXQPBCTWGGFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS/c1-3-5-12-13(20-17-16-12)14(19)18(2)9-10-6-4-7-11(15)8-10/h4,6-8H,3,5,9H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide?
N-[(3-bromophenyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide has a molecular weight of 354.27 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65205282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).