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

C9H11N3OS — CID 61280175

IUPAC[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESCc1noc(C)c1-c1ncc(CN)s1
InChIInChI=1S/C9H11N3OS/c1-5-8(6(2)13-12-5)9-11-4-7(3-10)14-9/h4H,3,10H2,1-2H3
InChIKeyHWJXCQCUIWWSSZ-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.87
Rot. Bonds2

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

[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 61280175) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is [2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID61280175
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESCc1noc(C)c1-c1ncc(CN)s1
InChIInChI=1S/C9H11N3OS/c1-5-8(6(2)13-12-5)9-11-4-7(3-10)14-9/h4H,3,10H2,1-2H3
InChIKeyHWJXCQCUIWWSSZ-UHFFFAOYSA-N
XLogP1.87
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-5-yl]methanamine (CID 61280175) is [2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-5-yl]methanamine is Cc1noc(C)c1-c1ncc(CN)s1.
What is the InChIKey of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is HWJXCQCUIWWSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-5-8(6(2)13-12-5)9-11-4-7(3-10)14-9/h4H,3,10H2,1-2H3.
What are the key properties of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-5-yl]methanamine?
[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 209.27 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 61280175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).