1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine

C8H11N5S — CID 130686343

IUPAC1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine
SMILESCc1csc(CNc2ncn(C)n2)n1
InChIInChI=1S/C8H11N5S/c1-6-4-14-7(11-6)3-9-8-10-5-13(2)12-8/h4-5H,3H2,1-2H3,(H,9,12)
InChIKeyWTXBCDOXYHUOTP-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.19
Rot. Bonds3

About 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine

1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine (PubChem CID 130686343) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine
PubChem CID130686343
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine
SMILESCc1csc(CNc2ncn(C)n2)n1
InChIInChI=1S/C8H11N5S/c1-6-4-14-7(11-6)3-9-8-10-5-13(2)12-8/h4-5H,3H2,1-2H3,(H,9,12)
InChIKeyWTXBCDOXYHUOTP-UHFFFAOYSA-N
XLogP1.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine 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-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60733825
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazin-3-amine
CID 114448176
2,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 60733823
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 62963186
2,3,4,5,6-pentafluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 60706687
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine
CID 114475451
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(1-methyltriazol-4-yl)methanamine
CID 62755804
1-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 61035698
1-(3-methylimidazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 62998460
1-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine
CID 131086458
1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyrazole-4-carboxylic acid
CID 63757916

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine?
The IUPAC name of 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine (CID 130686343) is 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine is Cc1csc(CNc2ncn(C)n2)n1.
What is the InChIKey of 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine?
The InChIKey is WTXBCDOXYHUOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-6-4-14-7(11-6)3-9-8-10-5-13(2)12-8/h4-5H,3H2,1-2H3,(H,9,12).
What are the key properties of 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine?
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine has a molecular weight of 209.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 130686343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).