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

C14H21N5S — CID 102800136

IUPACN-methyl-1-[1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
SMILESCNCC1CCN(c2n[nH]c(-c3ccc(C)s3)n2)CC1
InChIInChI=1S/C14H21N5S/c1-10-3-4-12(20-10)13-16-14(18-17-13)19-7-5-11(6-8-19)9-15-2/h3-4,11,15H,5-9H2,1-2H3,(H,16,17,18)
InChIKeyFYSZFPXRFLZVLL-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.28
Rot. Bonds4

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

N-methyl-1-[1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine (PubChem CID 102800136) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-methyl-1-[1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
PubChem CID102800136
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC NameN-methyl-1-[1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
SMILESCNCC1CCN(c2n[nH]c(-c3ccc(C)s3)n2)CC1
InChIInChI=1S/C14H21N5S/c1-10-3-4-12(20-10)13-16-14(18-17-13)19-7-5-11(6-8-19)9-15-2/h3-4,11,15H,5-9H2,1-2H3,(H,16,17,18)
InChIKeyFYSZFPXRFLZVLL-UHFFFAOYSA-N
XLogP2.28
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800069
N-[[1-[5-(5-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methyl]ethanamine
CID 102799318
1-[1-[5-(5-bromothiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799591
1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 102800061
N-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800138
N-methyl-1-[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800095
1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 102800196
1-[1-[5-(cyclobutylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 103162652
N-methyl-1-[1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800134
N-methyl-1-[1-[5-(2-methylbutan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800149
[3-methyl-1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799486
N-methyl-1-[1-(5-methyl-1H-imidazol-2-yl)piperidin-4-yl]methanamine
CID 106552662

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine (CID 102800136) is N-methyl-1-[1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine is CNCC1CCN(c2n[nH]c(-c3ccc(C)s3)n2)CC1.
What is the InChIKey of N-methyl-1-[1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
The InChIKey is FYSZFPXRFLZVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-10-3-4-12(20-10)13-16-14(18-17-13)19-7-5-11(6-8-19)9-15-2/h3-4,11,15H,5-9H2,1-2H3,(H,16,17,18).
What are the key properties of N-methyl-1-[1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
N-methyl-1-[1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine has a molecular weight of 291.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 102800136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).