(4-amino-1,3-oxazol-2-yl)methanethiol

C4H6N2OS — CID 117186793

IUPAC(4-amino-1,3-oxazol-2-yl)methanethiol
SMILESNc1coc(CS)n1
InChIInChI=1S/C4H6N2OS/c5-3-1-7-4(2-8)6-3/h1,8H,2,5H2
InChIKeyVQJYKDNYGPKWDI-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.69
Rot. Bonds1

About (4-amino-1,3-oxazol-2-yl)methanethiol

(4-amino-1,3-oxazol-2-yl)methanethiol (PubChem CID 117186793) has the molecular formula C4H6N2OS and a molecular weight of 130.17 g/mol. Its IUPAC name is (4-amino-1,3-oxazol-2-yl)methanethiol.

Molecular Properties

Compound Name(4-amino-1,3-oxazol-2-yl)methanethiol
PubChem CID117186793
Molecular FormulaC4H6N2OS
Molecular Weight130.17 g/mol
Exact Mass130.02
IUPAC Name(4-amino-1,3-oxazol-2-yl)methanethiol
SMILESNc1coc(CS)n1
InChIInChI=1S/C4H6N2OS/c5-3-1-7-4(2-8)6-3/h1,8H,2,5H2
InChIKeyVQJYKDNYGPKWDI-UHFFFAOYSA-N
XLogP0.69
TPSA52.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(4-methyl-1,3-oxazol-2-yl)methanethiol
CID 117186792
2-(methylsulfanylmethyl)-1,3-oxazol-4-amine
CID 117186769
methyl 2-(sulfanylmethyl)-1,3-oxazole-4-carboxylate
CID 165481835
2-methylsulfanyl-1,3-oxazol-4-amine
CID 117188944
2-(trifluoromethyl)-1,3-oxazol-4-amine
CID 156595636
6-[(4-amino-1,3-oxazol-2-yl)methyl]-3,3-dimethylpiperazine-2,5-dione
CID 146373999
1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine
CID 115084208
6-(4-ethyl-1,3-oxazol-2-yl)pyridin-2-amine
CID 89130981
3-(2-propyl-1,3-oxazol-4-yl)propan-1-amine
CID 115084229
4-[(4-methyl-1,3-oxazol-2-yl)methyl]aniline
CID 69207076
2-[4-(2-methylpropyl)-1,3-oxazol-2-yl]ethanamine
CID 105433846
2-ethyl-1,3-oxazole-4-carbaldehyde
CID 83478668

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,3-oxazol-2-yl)methanethiol?
The IUPAC name of (4-amino-1,3-oxazol-2-yl)methanethiol (CID 117186793) is (4-amino-1,3-oxazol-2-yl)methanethiol.
What is the SMILES notation for (4-amino-1,3-oxazol-2-yl)methanethiol?
The canonical SMILES for (4-amino-1,3-oxazol-2-yl)methanethiol is Nc1coc(CS)n1.
What is the InChIKey of (4-amino-1,3-oxazol-2-yl)methanethiol?
The InChIKey is VQJYKDNYGPKWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS/c5-3-1-7-4(2-8)6-3/h1,8H,2,5H2.
What are the key properties of (4-amino-1,3-oxazol-2-yl)methanethiol?
(4-amino-1,3-oxazol-2-yl)methanethiol has a molecular weight of 130.17 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,3-oxazol-2-yl)methanethiol is sourced from PubChem (CID 117186793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).