2-(methylsulfanylmethyl)-1,3-oxazol-4-amine

C5H8N2OS — CID 117186769

IUPAC2-(methylsulfanylmethyl)-1,3-oxazol-4-amine
SMILESCSCc1nc(N)co1
InChIInChI=1S/C5H8N2OS/c1-9-3-5-7-4(6)2-8-5/h2H,3,6H2,1H3
InChIKeyAWJDYXXZOSVFTA-UHFFFAOYSA-N
MW144.20 g/mol
LogP1.12
Rot. Bonds2

About 2-(methylsulfanylmethyl)-1,3-oxazol-4-amine

2-(methylsulfanylmethyl)-1,3-oxazol-4-amine (PubChem CID 117186769) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-1,3-oxazol-4-amine.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-1,3-oxazol-4-amine
PubChem CID117186769
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name2-(methylsulfanylmethyl)-1,3-oxazol-4-amine
SMILESCSCc1nc(N)co1
InChIInChI=1S/C5H8N2OS/c1-9-3-5-7-4(6)2-8-5/h2H,3,6H2,1H3
InChIKeyAWJDYXXZOSVFTA-UHFFFAOYSA-N
XLogP1.12
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1,3-oxazol-2-yl)methanethiol
CID 117186793
2-methylsulfanyl-1,3-oxazol-4-amine
CID 117188944
5-(methylsulfanylmethyl)-1,2-oxazol-3-amine
CID 117216906
6-[(4-amino-1,3-oxazol-2-yl)methyl]-3,3-dimethylpiperazine-2,5-dione
CID 146373999
3-bromo-5-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 112571487
2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-amine
CID 117186722
4-(propan-2-ylsulfanylmethyl)-1,3-oxazol-2-amine
CID 117191016
4-methylsulfanyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 83084930
6-tert-butyl-2-(methylsulfanylmethyl)pyrimidin-4-amine
CID 62693647
2-(trifluoromethyl)-1,3-oxazol-4-amine
CID 156595636
1-methyl-5-(methylsulfanylmethyl)pyrazol-3-amine
CID 117217176
1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62694731

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-1,3-oxazol-4-amine?
The IUPAC name of 2-(methylsulfanylmethyl)-1,3-oxazol-4-amine (CID 117186769) is 2-(methylsulfanylmethyl)-1,3-oxazol-4-amine.
What is the SMILES notation for 2-(methylsulfanylmethyl)-1,3-oxazol-4-amine?
The canonical SMILES for 2-(methylsulfanylmethyl)-1,3-oxazol-4-amine is CSCc1nc(N)co1.
What is the InChIKey of 2-(methylsulfanylmethyl)-1,3-oxazol-4-amine?
The InChIKey is AWJDYXXZOSVFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-9-3-5-7-4(6)2-8-5/h2H,3,6H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)-1,3-oxazol-4-amine?
2-(methylsulfanylmethyl)-1,3-oxazol-4-amine has a molecular weight of 144.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-1,3-oxazol-4-amine is sourced from PubChem (CID 117186769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).