N-[(3-methyltriazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine

C9H13N5S — CID 115682543

IUPACN-[(3-methyltriazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCn1nncc1CNCCc1nccs1
InChIInChI=1S/C9H13N5S/c1-14-8(7-12-13-14)6-10-3-2-9-11-4-5-15-9/h4-5,7,10H,2-3,6H2,1H3
InChIKeyLBDBEKYTIPBBOF-UHFFFAOYSA-N
MW223.31 g/mol
LogP0.60
Rot. Bonds5

About N-[(3-methyltriazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine

N-[(3-methyltriazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 115682543) has the molecular formula C9H13N5S and a molecular weight of 223.31 g/mol. Its IUPAC name is N-[(3-methyltriazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-methyltriazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID115682543
Molecular FormulaC9H13N5S
Molecular Weight223.31 g/mol
Exact Mass223.09
IUPAC NameN-[(3-methyltriazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
SMILESCn1nncc1CNCCc1nccs1
InChIInChI=1S/C9H13N5S/c1-14-8(7-12-13-14)6-10-3-2-9-11-4-5-15-9/h4-5,7,10H,2-3,6H2,1H3
InChIKeyLBDBEKYTIPBBOF-UHFFFAOYSA-N
XLogP0.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-methyl-1,2,4-triazol-3-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115689890
3,3-dimethyl-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682257
N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine
CID 115682072
N-[(3-methyltriazol-4-yl)methyl]decan-1-amine
CID 115690037
N-[(3-methyltriazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 115749257
2-(4-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682028
4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682364
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 55139434
N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240886
N-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine
CID 103739398
1-[(3-methyltriazol-4-yl)methylamino]pentan-3-ol
CID 115703082
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 55228241

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyltriazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(3-methyltriazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine (CID 115682543) is N-[(3-methyltriazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(3-methyltriazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(3-methyltriazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is Cn1nncc1CNCCc1nccs1.
What is the InChIKey of N-[(3-methyltriazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is LBDBEKYTIPBBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-14-8(7-12-13-14)6-10-3-2-9-11-4-5-15-9/h4-5,7,10H,2-3,6H2,1H3.
What are the key properties of N-[(3-methyltriazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine?
N-[(3-methyltriazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 223.31 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyltriazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 115682543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).