[2-(2-methyltriazol-4-yl)-1,3-thiazol-5-yl]methanamine

C7H9N5S — CID 130679685

IUPAC[2-(2-methyltriazol-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESCn1ncc(-c2ncc(CN)s2)n1
InChIInChI=1S/C7H9N5S/c1-12-10-4-6(11-12)7-9-3-5(2-8)13-7/h3-4H,2,8H2,1H3
InChIKeyCNXRZTCHKSIQGB-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.40
Rot. Bonds2

About [2-(2-methyltriazol-4-yl)-1,3-thiazol-5-yl]methanamine

[2-(2-methyltriazol-4-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 130679685) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is [2-(2-methyltriazol-4-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methyltriazol-4-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID130679685
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name[2-(2-methyltriazol-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESCn1ncc(-c2ncc(CN)s2)n1
InChIInChI=1S/C7H9N5S/c1-12-10-4-6(11-12)7-9-3-5(2-8)13-7/h3-4H,2,8H2,1H3
InChIKeyCNXRZTCHKSIQGB-UHFFFAOYSA-N
XLogP0.40
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 79584303
[2-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-5-yl]methanamine
CID 131025975
(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanamine
CID 61281141
[2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methanamine
CID 79712640
[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methanamine
CID 107125215
[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 61280175
[2-(5-ethylfuran-2-yl)-1,3-thiazol-5-yl]methanamine
CID 62347401
[4-(2-methyltriazol-4-yl)phenyl]methanamine
CID 130602543
[2-(4-isocyanophenyl)-1,3-thiazol-5-yl]methanamine
CID 140907479
[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 61280356
[2-(3-cyclopropylimidazol-4-yl)-1,3-thiazol-5-yl]methanamine
CID 66164684
2-methyl-N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 65197994

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyltriazol-4-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2-methyltriazol-4-yl)-1,3-thiazol-5-yl]methanamine (CID 130679685) is [2-(2-methyltriazol-4-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-methyltriazol-4-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2-methyltriazol-4-yl)-1,3-thiazol-5-yl]methanamine is Cn1ncc(-c2ncc(CN)s2)n1.
What is the InChIKey of [2-(2-methyltriazol-4-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is CNXRZTCHKSIQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-12-10-4-6(11-12)7-9-3-5(2-8)13-7/h3-4H,2,8H2,1H3.
What are the key properties of [2-(2-methyltriazol-4-yl)-1,3-thiazol-5-yl]methanamine?
[2-(2-methyltriazol-4-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 195.25 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyltriazol-4-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 130679685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).