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

C8H11N5S — CID 126988140

IUPAC5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(CNc2ncc(C)s2)n[nH]1
InChIInChI=1S/C8H11N5S/c1-5-3-9-8(14-5)10-4-7-11-6(2)12-13-7/h3H,4H2,1-2H3,(H,9,10)(H,11,12,13)
InChIKeyRRLHDLUCKZLKOG-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.49
Rot. Bonds3

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

5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 126988140) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID126988140
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(CNc2ncc(C)s2)n[nH]1
InChIInChI=1S/C8H11N5S/c1-5-3-9-8(14-5)10-4-7-11-6(2)12-13-7/h3H,4H2,1-2H3,(H,9,10)(H,11,12,13)
InChIKeyRRLHDLUCKZLKOG-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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine (CID 126988140) is 5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine is Cc1nc(CNc2ncc(C)s2)n[nH]1.
What is the InChIKey of 5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is RRLHDLUCKZLKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-5-3-9-8(14-5)10-4-7-11-6(2)12-13-7/h3H,4H2,1-2H3,(H,9,10)(H,11,12,13).
What are the key properties of 5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
5-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 5-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 126988140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).