N-[2-(5-bromothiophen-2-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide

C12H15BrN4OS — CID 106039099

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)NCCc2ccc(Br)s2)n[nH]1
InChIInChI=1S/C12H15BrN4OS/c1-2-3-10-15-11(17-16-10)12(18)14-7-6-8-4-5-9(13)19-8/h4-5H,2-3,6-7H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyYKLLVPBIYQKBCW-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.55
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide

N-[2-(5-bromothiophen-2-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 106039099) has the molecular formula C12H15BrN4OS and a molecular weight of 343.25 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID106039099
Molecular FormulaC12H15BrN4OS
Molecular Weight343.25 g/mol
Exact Mass342.01
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)NCCc2ccc(Br)s2)n[nH]1
InChIInChI=1S/C12H15BrN4OS/c1-2-3-10-15-11(17-16-10)12(18)14-7-6-8-4-5-9(13)19-8/h4-5H,2-3,6-7H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyYKLLVPBIYQKBCW-UHFFFAOYSA-N
XLogP2.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-bromothiophen-2-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 103010377
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)benzamide
CID 106049295
N-(4-hydroxypentyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 106137463
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(ethylamino)benzamide
CID 106050450
N-[2-(5-bromothiophen-2-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106050447
N-[2-(5-bromothiophen-2-yl)ethyl]-5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxamide
CID 75440262
N-[2-(5-bromothiophen-2-yl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
CID 106050529
N-(2-methylprop-2-enyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 114618480
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methyl-6-(methylamino)pyridine-4-carboxamide
CID 106050469
N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 71931193
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(ethylamino)-2-methylpropanamide
CID 106048047
(2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide
CID 103794391

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide (CID 106039099) is N-[2-(5-bromothiophen-2-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide is CCCc1nc(C(=O)NCCc2ccc(Br)s2)n[nH]1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is YKLLVPBIYQKBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4OS/c1-2-3-10-15-11(17-16-10)12(18)14-7-6-8-4-5-9(13)19-8/h4-5H,2-3,6-7H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 343.25 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-5-propyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 106039099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).