(3-methyl-1,2-thiazol-5-yl)-(2H-triazol-4-yl)methanamine

C7H9N5S — CID 127002585

IUPAC(3-methyl-1,2-thiazol-5-yl)-(2H-triazol-4-yl)methanamine
SMILESCc1cc(C(N)c2cn[nH]n2)sn1
InChIInChI=1S/C7H9N5S/c1-4-2-6(13-11-4)7(8)5-3-9-12-10-5/h2-3,7H,8H2,1H3,(H,9,10,12)
InChIKeyZXENIRWEXQMZHL-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.62
Rot. Bonds2

About (3-methyl-1,2-thiazol-5-yl)-(2H-triazol-4-yl)methanamine

(3-methyl-1,2-thiazol-5-yl)-(2H-triazol-4-yl)methanamine (PubChem CID 127002585) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is (3-methyl-1,2-thiazol-5-yl)-(2H-triazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-1,2-thiazol-5-yl)-(2H-triazol-4-yl)methanamine
PubChem CID127002585
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name(3-methyl-1,2-thiazol-5-yl)-(2H-triazol-4-yl)methanamine
SMILESCc1cc(C(N)c2cn[nH]n2)sn1
InChIInChI=1S/C7H9N5S/c1-4-2-6(13-11-4)7(8)5-3-9-12-10-5/h2-3,7H,8H2,1H3,(H,9,10,12)
InChIKeyZXENIRWEXQMZHL-UHFFFAOYSA-N
XLogP0.62
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(2H-triazol-4-yl)methanamine?
The IUPAC name of (3-methyl-1,2-thiazol-5-yl)-(2H-triazol-4-yl)methanamine (CID 127002585) is (3-methyl-1,2-thiazol-5-yl)-(2H-triazol-4-yl)methanamine.
What is the SMILES notation for (3-methyl-1,2-thiazol-5-yl)-(2H-triazol-4-yl)methanamine?
The canonical SMILES for (3-methyl-1,2-thiazol-5-yl)-(2H-triazol-4-yl)methanamine is Cc1cc(C(N)c2cn[nH]n2)sn1.
What is the InChIKey of (3-methyl-1,2-thiazol-5-yl)-(2H-triazol-4-yl)methanamine?
The InChIKey is ZXENIRWEXQMZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-4-2-6(13-11-4)7(8)5-3-9-12-10-5/h2-3,7H,8H2,1H3,(H,9,10,12).
What are the key properties of (3-methyl-1,2-thiazol-5-yl)-(2H-triazol-4-yl)methanamine?
(3-methyl-1,2-thiazol-5-yl)-(2H-triazol-4-yl)methanamine has a molecular weight of 195.25 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-thiazol-5-yl)-(2H-triazol-4-yl)methanamine is sourced from PubChem (CID 127002585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).