[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine

C9H13N5S — CID 62446597

IUPAC[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(C)n(Cc2csc(CN)n2)n1
InChIInChI=1S/C9H13N5S/c1-6-11-7(2)14(13-6)4-8-5-15-9(3-10)12-8/h5H,3-4,10H2,1-2H3
InChIKeyJMQFYAHSPBLOKB-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.86
Rot. Bonds3

About [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine

[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 62446597) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
PubChem CID62446597
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESCc1nc(C)n(Cc2csc(CN)n2)n1
InChIInChI=1S/C9H13N5S/c1-6-11-7(2)14(13-6)4-8-5-15-9(3-10)12-8/h5H,3-4,10H2,1-2H3
InChIKeyJMQFYAHSPBLOKB-UHFFFAOYSA-N
XLogP0.86
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-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

4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-amine
CID 61320183
[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 55072800
[2-(aminomethyl)-1,3-thiazol-4-yl]methanethiol
CID 82502783
[4-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62433618
[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 55157940
4-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-1,3-thiazole
CID 56528659
[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 62967066
[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62431138
[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]-1,3-thiazol-2-yl]methanamine
CID 106598242
[4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine;[4-[(2,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine;methane
CID 162095210
(4-pentyl-1,3-thiazol-2-yl)methanamine
CID 69371976
[4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62445438

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine (CID 62446597) is [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine is Cc1nc(C)n(Cc2csc(CN)n2)n1.
What is the InChIKey of [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is JMQFYAHSPBLOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-6-11-7(2)14(13-6)4-8-5-15-9(3-10)12-8/h5H,3-4,10H2,1-2H3.
What are the key properties of [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine?
[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 223.30 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 62446597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).