4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine

C8H11N5S — CID 130965368

IUPAC4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1csc(NCc2n[nH]c(C)n2)n1
InChIInChI=1S/C8H11N5S/c1-5-4-14-8(10-5)9-3-7-11-6(2)12-13-7/h4H,3H2,1-2H3,(H,9,10)(H,11,12,13)
InChIKeyZAOOEIPYOKJJPK-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.49
Rot. Bonds3

About 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine

4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 130965368) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID130965368
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1csc(NCc2n[nH]c(C)n2)n1
InChIInChI=1S/C8H11N5S/c1-5-4-14-8(10-5)9-3-7-11-6(2)12-13-7/h4H,3H2,1-2H3,(H,9,10)(H,11,12,13)
InChIKeyZAOOEIPYOKJJPK-UHFFFAOYSA-N
XLogP1.49
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 126988140
N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 10728405
1-(2-methyl-1,3-thiazol-4-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115672794
4-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 60723741
5-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 131187148
N-(2-chloropropyl)-4-methyl-1,3-thiazol-2-amine
CID 65027979
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 79242359
N-[[3-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazol-2-amine
CID 54896746
1-(2-methyl-1,3-thiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]methanamine
CID 115685711
4-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 82873661
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 79242424
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 62963186

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine (CID 130965368) is 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine is Cc1csc(NCc2n[nH]c(C)n2)n1.
What is the InChIKey of 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is ZAOOEIPYOKJJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-5-4-14-8(10-5)9-3-7-11-6(2)12-13-7/h4H,3H2,1-2H3,(H,9,10)(H,11,12,13).
What are the key properties of 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 209.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 130965368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).