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

C14H21N5OS — CID 102799213

IUPAC1-[1-[5-(4-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
SMILESCOc1csc(-c2nc(N3CCC(C(C)N)CC3)n[nH]2)c1
InChIInChI=1S/C14H21N5OS/c1-9(15)10-3-5-19(6-4-10)14-16-13(17-18-14)12-7-11(20-2)8-21-12/h7-10H,3-6,15H2,1-2H3,(H,16,17,18)
InChIKeyUUHSSSKFLNYONW-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.11
Rot. Bonds4

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

1-[1-[5-(4-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine (PubChem CID 102799213) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[1-[5-(4-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[5-(4-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
PubChem CID102799213
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name1-[1-[5-(4-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
SMILESCOc1csc(-c2nc(N3CCC(C(C)N)CC3)n[nH]2)c1
InChIInChI=1S/C14H21N5OS/c1-9(15)10-3-5-19(6-4-10)14-16-13(17-18-14)12-7-11(20-2)8-21-12/h7-10H,3-6,15H2,1-2H3,(H,16,17,18)
InChIKeyUUHSSSKFLNYONW-UHFFFAOYSA-N
XLogP2.11
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[1-[5-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 103400511
3-[3-[4-(1-aminoethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol
CID 102799233
1-[1-[5-(4-iodophenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799263
1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799118
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
CID 139509898
1-[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]ethanamine
CID 102799146
1-[1-[5-[2-(dimethylamino)ethyl]-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799212
1-[1-(5-heptyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]ethanamine
CID 102799158
1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine
CID 63595725
1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-4-yl]ethanamine
CID 63595044
1-[1-[5-(oxan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 102799155
1-[5-(5-bromothiophen-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 114021099

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(4-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[5-(4-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine (CID 102799213) is 1-[1-[5-(4-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[5-(4-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[5-(4-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine is COc1csc(-c2nc(N3CCC(C(C)N)CC3)n[nH]2)c1.
What is the InChIKey of 1-[1-[5-(4-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine?
The InChIKey is UUHSSSKFLNYONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-9(15)10-3-5-19(6-4-10)14-16-13(17-18-14)12-7-11(20-2)8-21-12/h7-10H,3-6,15H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[1-[5-(4-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine?
1-[1-[5-(4-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine has a molecular weight of 307.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(4-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 102799213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).