N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]propan-2-amine

C14H22BrN5S — CID 62462261

IUPACN-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCN(C)Cc2csc(Br)c2)nn1
InChIInChI=1S/C14H22BrN5S/c1-11(2)16-7-13-9-20(18-17-13)5-4-19(3)8-12-6-14(15)21-10-12/h6,9-11,16H,4-5,7-8H2,1-3H3
InChIKeyDPFRYADASZPFDS-UHFFFAOYSA-N
MW372.34 g/mol
LogP2.73
Rot. Bonds8

About N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]propan-2-amine

N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 62462261) has the molecular formula C14H22BrN5S and a molecular weight of 372.34 g/mol. Its IUPAC name is N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID62462261
Molecular FormulaC14H22BrN5S
Molecular Weight372.34 g/mol
Exact Mass371.08
IUPAC NameN-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CCN(C)Cc2csc(Br)c2)nn1
InChIInChI=1S/C14H22BrN5S/c1-11(2)16-7-13-9-20(18-17-13)5-4-19(3)8-12-6-14(15)21-10-12/h6,9-11,16H,4-5,7-8H2,1-3H3
InChIKeyDPFRYADASZPFDS-UHFFFAOYSA-N
XLogP2.73
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-methyl-1-{1-[1-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methanamine bis(trifluoroacetate)
CID 31162386
n-((5-Bromothiophen-3-yl)methyl)-1-(1h-pyrazol-1-yl)propan-2-amine
CID 43435001
N-[(5-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine
CID 43647092
N-[(5-bromothiophen-3-yl)methyl]-1-ethylpyrazol-4-amine
CID 43647094
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 54982436
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 55072751
N-methyl-1-[1-(3-piperidinylmethyl)-1H-1,2,3-triazol-4-yl]-N-(3-thienylmethyl)methanamine bis(trifluoroacetate)
CID 56854108
N-[(5-bromothiophen-3-yl)methyl]-1-[2-(diethylamino)ethyl]pyrazol-4-amine
CID 60931810
{1-[(thiophen-3-yl)methyl]-1H-1,2,3-triazol-4-yl}methanamine
CID 62053952
[1-[(5-Bromothiophen-3-yl)methyl]triazol-4-yl]methanamine
CID 62055144
1-[2-[(5-Bromothiophen-3-yl)methyl-methylamino]ethyl]pyrazol-4-amine
CID 62139546
4-(2-Bromoethyl)-1-(thiophen-3-ylmethyl)triazole
CID 62394425

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]propan-2-amine (CID 62462261) is N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(CCN(C)Cc2csc(Br)c2)nn1.
What is the InChIKey of N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is DPFRYADASZPFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN5S/c1-11(2)16-7-13-9-20(18-17-13)5-4-19(3)8-12-6-14(15)21-10-12/h6,9-11,16H,4-5,7-8H2,1-3H3.
What are the key properties of N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]propan-2-amine?
N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 372.34 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]ethyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62462261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).