1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine

C15H21N5S — CID 102800349

IUPAC1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2n[nH]c(-c3cc4c(s3)CCC4)n2)CC1
InChIInChI=1S/C15H21N5S/c1-16-11-5-7-20(8-6-11)15-17-14(18-19-15)13-9-10-3-2-4-12(10)21-13/h9,11,16H,2-8H2,1H3,(H,17,18,19)
InChIKeyHXKNUUACYRAZQB-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.21
Rot. Bonds3

About 1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine

1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine (PubChem CID 102800349) has the molecular formula C15H21N5S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
PubChem CID102800349
Molecular FormulaC15H21N5S
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Name1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2n[nH]c(-c3cc4c(s3)CCC4)n2)CC1
InChIInChI=1S/C15H21N5S/c1-16-11-5-7-20(8-6-11)15-17-14(18-19-15)13-9-10-3-2-4-12(10)21-13/h9,11,16H,2-8H2,1H3,(H,17,18,19)
InChIKeyHXKNUUACYRAZQB-UHFFFAOYSA-N
XLogP2.21
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine with MolForge

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Related Compounds

(3S)-1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797993
1-[5-(5-iodothiophen-3-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800470
1-[5-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 103400516
1-[5-(4-bromo-2-methylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800385
[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]imino-dimethyl-oxo-λ6-sulfane
CID 167760698
3-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]benzonitrile
CID 102800422
1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800340
3-fluoro-2-[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]phenol
CID 136678085
N-methyl-1-[1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800136
[3-[4-(methylamino)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 102800344
1-[5-(3-bicyclo[3.1.0]hexanyl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine
CID 102800438
N-methyl-1-[5-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 114221763

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine (CID 102800349) is 1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine is CNC1CCN(c2n[nH]c(-c3cc4c(s3)CCC4)n2)CC1.
What is the InChIKey of 1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine?
The InChIKey is HXKNUUACYRAZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-16-11-5-7-20(8-6-11)15-17-14(18-19-15)13-9-10-3-2-4-12(10)21-13/h9,11,16H,2-8H2,1H3,(H,17,18,19).
What are the key properties of 1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine?
1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine has a molecular weight of 303.43 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 102800349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).