3-methyl-4-(thian-3-yl)-1,2-oxazol-5-amine

C9H14N2OS — CID 105451723

IUPAC3-methyl-4-(thian-3-yl)-1,2-oxazol-5-amine
SMILESCc1noc(N)c1C1CCCSC1
InChIInChI=1S/C9H14N2OS/c1-6-8(9(10)12-11-6)7-3-2-4-13-5-7/h7H,2-5,10H2,1H3
InChIKeyIZYXMRYLXCGVMK-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.18
Rot. Bonds1

About 3-methyl-4-(thian-3-yl)-1,2-oxazol-5-amine

3-methyl-4-(thian-3-yl)-1,2-oxazol-5-amine (PubChem CID 105451723) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-methyl-4-(thian-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-methyl-4-(thian-3-yl)-1,2-oxazol-5-amine
PubChem CID105451723
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-methyl-4-(thian-3-yl)-1,2-oxazol-5-amine
SMILESCc1noc(N)c1C1CCCSC1
InChIInChI=1S/C9H14N2OS/c1-6-8(9(10)12-11-6)7-3-2-4-13-5-7/h7H,2-5,10H2,1H3
InChIKeyIZYXMRYLXCGVMK-UHFFFAOYSA-N
XLogP2.18
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dicyclohexyl-1,2-oxazol-5-amine
CID 101405411
methyl 5-amino-4-cyclopentyl-1,2-oxazole-3-carboxylate
CID 105463948
2-bromo-5-methyl-4-(thian-3-yl)-1,3-oxazole
CID 115048958
1-[5-(thian-3-yl)-1,2-oxazol-4-yl]ethanone
CID 115093466
2-cyclopentyl-4-(thian-3-yl)-1,3-thiazol-5-amine
CID 114283153
6-(thian-3-yl)pyridazine-3,4-diamine
CID 117105573
(5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine
CID 105462134
3-chloro-4-cyclopropyl-1,2-oxazol-5-amine
CID 105431108
[2-(thian-3-yl)-1,3-oxazol-4-yl]methanol
CID 115082592
3,4-dimethyl-1,2-oxazol-5-amine;ethane
CID 145491487
2-(thian-3-yl)pyrazol-3-amine
CID 62872187
1-[4-(thian-3-yl)phenyl]ethanone
CID 105476773

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(thian-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-methyl-4-(thian-3-yl)-1,2-oxazol-5-amine (CID 105451723) is 3-methyl-4-(thian-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-methyl-4-(thian-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-methyl-4-(thian-3-yl)-1,2-oxazol-5-amine is Cc1noc(N)c1C1CCCSC1.
What is the InChIKey of 3-methyl-4-(thian-3-yl)-1,2-oxazol-5-amine?
The InChIKey is IZYXMRYLXCGVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-8(9(10)12-11-6)7-3-2-4-13-5-7/h7H,2-5,10H2,1H3.
What are the key properties of 3-methyl-4-(thian-3-yl)-1,2-oxazol-5-amine?
3-methyl-4-(thian-3-yl)-1,2-oxazol-5-amine has a molecular weight of 198.29 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(thian-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 105451723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).