N-[[1-[5-(5-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine

C14H20ClN5S — CID 102799318

IUPACN-[[1-[5-(5-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2n[nH]c(-c3ccc(Cl)s3)n2)CC1
InChIInChI=1S/C14H20ClN5S/c1-2-16-9-10-5-7-20(8-6-10)14-17-13(18-19-14)11-3-4-12(15)21-11/h3-4,10,16H,2,5-9H2,1H3,(H,17,18,19)
InChIKeyZQFSVOKLAKZTBZ-UHFFFAOYSA-N
MW325.87 g/mol
LogP3.01
Rot. Bonds5

About N-[[1-[5-(5-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine

N-[[1-[5-(5-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine (PubChem CID 102799318) has the molecular formula C14H20ClN5S and a molecular weight of 325.87 g/mol. Its IUPAC name is N-[[1-[5-(5-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[5-(5-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine
PubChem CID102799318
Molecular FormulaC14H20ClN5S
Molecular Weight325.87 g/mol
Exact Mass325.11
IUPAC NameN-[[1-[5-(5-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2n[nH]c(-c3ccc(Cl)s3)n2)CC1
InChIInChI=1S/C14H20ClN5S/c1-2-16-9-10-5-7-20(8-6-10)14-17-13(18-19-14)11-3-4-12(15)21-11/h3-4,10,16H,2,5-9H2,1H3,(H,17,18,19)
InChIKeyZQFSVOKLAKZTBZ-UHFFFAOYSA-N
XLogP3.01
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-[5-(5-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[1-[5-(5-chlorofuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine
CID 106683946
N-methyl-1-[1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800136
N-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine
CID 102799345
N-[[1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine
CID 107960297
N-[[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine
CID 102799312
N-[[1-(5-butan-2-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine
CID 102799372
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62592824
1-[1-[5-(5-bromothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799591
1-[5-(5-ethylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794421
N-methyl-1-[1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800069
N-[[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 80551837
3-[4-[[(4-chlorophenyl)methylamino]methyl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
CID 123362757

Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-(5-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[5-(5-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine (CID 102799318) is N-[[1-[5-(5-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[5-(5-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[5-(5-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(c2n[nH]c(-c3ccc(Cl)s3)n2)CC1.
What is the InChIKey of N-[[1-[5-(5-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is ZQFSVOKLAKZTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5S/c1-2-16-9-10-5-7-20(8-6-10)14-17-13(18-19-14)11-3-4-12(15)21-11/h3-4,10,16H,2,5-9H2,1H3,(H,17,18,19).
What are the key properties of N-[[1-[5-(5-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine?
N-[[1-[5-(5-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 325.87 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-(5-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 102799318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).