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

C8H9N3OS — CID 79139626

IUPAC[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-4-yl]methanamine
SMILESCc1ncsc1-c1ocnc1CN
InChIInChI=1S/C8H9N3OS/c1-5-8(13-4-11-5)7-6(2-9)10-3-12-7/h3-4H,2,9H2,1H3
InChIKeyQYFCYSLVCMITAN-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.57
Rot. Bonds2

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

[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-4-yl]methanamine (PubChem CID 79139626) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is [5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-4-yl]methanamine
PubChem CID79139626
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-4-yl]methanamine
SMILESCc1ncsc1-c1ocnc1CN
InChIInChI=1S/C8H9N3OS/c1-5-8(13-4-11-5)7-6(2-9)10-3-12-7/h3-4H,2,9H2,1H3
InChIKeyQYFCYSLVCMITAN-UHFFFAOYSA-N
XLogP1.57
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-4-yl]methanamine (CID 79139626) is [5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-4-yl]methanamine is Cc1ncsc1-c1ocnc1CN.
What is the InChIKey of [5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is QYFCYSLVCMITAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-5-8(13-4-11-5)7-6(2-9)10-3-12-7/h3-4H,2,9H2,1H3.
What are the key properties of [5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-4-yl]methanamine?
[5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 195.25 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 79139626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).