3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropanethioamide

C10H16N2OS — CID 82155360

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropanethioamide
SMILESCc1noc(C)c1CC(C)(C)C(N)=S
InChIInChI=1S/C10H16N2OS/c1-6-8(7(2)13-12-6)5-10(3,4)9(11)14/h5H2,1-4H3,(H2,11,14)
InChIKeyKUYCUYJEOMVIBH-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.15
Rot. Bonds3

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropanethioamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropanethioamide (PubChem CID 82155360) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropanethioamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropanethioamide
PubChem CID82155360
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropanethioamide
SMILESCc1noc(C)c1CC(C)(C)C(N)=S
InChIInChI=1S/C10H16N2OS/c1-6-8(7(2)13-12-6)5-10(3,4)9(11)14/h5H2,1-4H3,(H2,11,14)
InChIKeyKUYCUYJEOMVIBH-UHFFFAOYSA-N
XLogP2.15
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 122240201
4-(2,2-dimethylbut-3-ynyl)-3,5-dimethyl-1,2-oxazole
CID 122240209
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
CID 78989893
4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole
CID 59539646
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-2-phenylpropan-1-amine
CID 82140365
2-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-ol;hydrochloride
CID 170892789
(3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
CID 2507881
4-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
CID 21060320
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]benzene-1,3-dicarboxamide
CID 28781635
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-6-methylpyridine-3-carbothioamide
CID 79242378
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea
CID 83111738
N'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 103718793

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropanethioamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropanethioamide (CID 82155360) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropanethioamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropanethioamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropanethioamide is Cc1noc(C)c1CC(C)(C)C(N)=S.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropanethioamide?
The InChIKey is KUYCUYJEOMVIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-6-8(7(2)13-12-6)5-10(3,4)9(11)14/h5H2,1-4H3,(H2,11,14).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropanethioamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropanethioamide has a molecular weight of 212.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropanethioamide is sourced from PubChem (CID 82155360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).