N,N-dimethyl-1-[5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]thiophen-3-yl]methanamine

C14H18N6S — CID 70783955

IUPACN,N-dimethyl-1-[5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]thiophen-3-yl]methanamine
SMILESCN(C)Cc1csc(-c2nccn2CCn2cnnc2)c1
InChIInChI=1S/C14H18N6S/c1-18(2)8-12-7-13(21-9-12)14-15-3-4-20(14)6-5-19-10-16-17-11-19/h3-4,7,9-11H,5-6,8H2,1-2H3
InChIKeyHTSDLYSSWFWBIF-UHFFFAOYSA-N
MW302.41 g/mol
LogP1.96
Rot. Bonds6

About N,N-dimethyl-1-[5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]thiophen-3-yl]methanamine

N,N-dimethyl-1-[5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]thiophen-3-yl]methanamine (PubChem CID 70783955) has the molecular formula C14H18N6S and a molecular weight of 302.41 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]thiophen-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]thiophen-3-yl]methanamine
PubChem CID70783955
Molecular FormulaC14H18N6S
Molecular Weight302.41 g/mol
Exact Mass302.13
IUPAC NameN,N-dimethyl-1-[5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]thiophen-3-yl]methanamine
SMILESCN(C)Cc1csc(-c2nccn2CCn2cnnc2)c1
InChIInChI=1S/C14H18N6S/c1-18(2)8-12-7-13(21-9-12)14-15-3-4-20(14)6-5-19-10-16-17-11-19/h3-4,7,9-11H,5-6,8H2,1-2H3
InChIKeyHTSDLYSSWFWBIF-UHFFFAOYSA-N
XLogP1.96
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]-2H-tetrazole
CID 11995658
3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-1-amine
CID 16676786
3-imidazol-1-yl-N-[(1-methylpyrazol-4-yl)methyl]-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 16676789
N,N-dimethyl-1-{5-[1-(3-thienylmethyl)-1H-imidazol-2-yl]-3-thienyl}methanamine
CID 56745066
1-(5-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1H-imidazol-2-yl}-3-thienyl)-N,N-dimethylmethanamine
CID 56760491
N,N-dimethyl-1-{5-[1-(2-pyridin-3-ylethyl)-1H-imidazol-2-yl]-3-thienyl}methanamine
CID 56862847
2-[4-(pyrrolidin-1-ylmethyl)-2-thienyl]-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-imidazole
CID 56874022
4-[[2-[4-(Pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]methyl]-1,3-thiazol-2-amine
CID 56876696
1-[2-(methylsulfonyl)ethyl]-2-(3-methyl-2-thienyl)-1H-imidazole
CID 56912209
N-methyl-N-{2-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]ethyl}methanesulfonamide
CID 70739875
4-methyl-1-{2-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]ethyl}-1H-1,2,3-triazole
CID 70748447
2-(3-methyl-2-thienyl)-1-[2-(pyrrolidin-1-ylsulfonyl)ethyl]-1H-imidazole
CID 70750663

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]thiophen-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]thiophen-3-yl]methanamine (CID 70783955) is N,N-dimethyl-1-[5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]thiophen-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]thiophen-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]thiophen-3-yl]methanamine is CN(C)Cc1csc(-c2nccn2CCn2cnnc2)c1.
What is the InChIKey of N,N-dimethyl-1-[5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]thiophen-3-yl]methanamine?
The InChIKey is HTSDLYSSWFWBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S/c1-18(2)8-12-7-13(21-9-12)14-15-3-4-20(14)6-5-19-10-16-17-11-19/h3-4,7,9-11H,5-6,8H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]thiophen-3-yl]methanamine?
N,N-dimethyl-1-[5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]thiophen-3-yl]methanamine has a molecular weight of 302.41 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[1-[2-(1,2,4-triazol-4-yl)ethyl]imidazol-2-yl]thiophen-3-yl]methanamine is sourced from PubChem (CID 70783955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).