3,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-5-amine

C9H11N3OS — CID 130639832

IUPAC3,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-5-amine
SMILESCc1noc(NCc2cscn2)c1C
InChIInChI=1S/C9H11N3OS/c1-6-7(2)12-13-9(6)10-3-8-4-14-5-11-8/h4-5,10H,3H2,1-2H3
InChIKeyWGLDILAFWUXNPA-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.36
Rot. Bonds3

About 3,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-5-amine

3,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-5-amine (PubChem CID 130639832) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 3,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-5-amine
PubChem CID130639832
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name3,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-5-amine
SMILESCc1noc(NCc2cscn2)c1C
InChIInChI=1S/C9H11N3OS/c1-6-7(2)12-13-9(6)10-3-8-4-14-5-11-8/h4-5,10H,3H2,1-2H3
InChIKeyWGLDILAFWUXNPA-UHFFFAOYSA-N
XLogP2.36
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
CID 115914406
5-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
CID 115925247
6-N-ethyl-2,5-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80846634
2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 104726418
6-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 81497978
N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
CID 130621107
5,6-dimethyl-3-(1,3-thiazol-4-ylmethylamino)pyridazine-4-carbothioamide
CID 63825719
2-N,6-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845473
4,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine
CID 131067677
2,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60683495
1-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine
CID 131086458
4-methyl-2-(1,3-thiazol-4-ylmethylamino)pyrimidine-5-carboxylic acid
CID 83181391

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-5-amine?
The IUPAC name of 3,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-5-amine (CID 130639832) is 3,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-5-amine is Cc1noc(NCc2cscn2)c1C.
What is the InChIKey of 3,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-5-amine?
The InChIKey is WGLDILAFWUXNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-6-7(2)12-13-9(6)10-3-8-4-14-5-11-8/h4-5,10H,3H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-5-amine?
3,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-5-amine has a molecular weight of 209.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 130639832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).