3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-amine

C10H13N3OS — CID 58201726

IUPAC3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-amine
SMILESCc1ncc(C(C)(C)c2cc(N)on2)s1
InChIInChI=1S/C10H13N3OS/c1-6-12-5-8(15-6)10(2,3)7-4-9(11)14-13-7/h4-5H,11H2,1-3H3
InChIKeyXBEYLDZEXJIFCR-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.35
Rot. Bonds2

About 3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-amine

3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-amine (PubChem CID 58201726) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-amine
PubChem CID58201726
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-amine
SMILESCc1ncc(C(C)(C)c2cc(N)on2)s1
InChIInChI=1S/C10H13N3OS/c1-6-12-5-8(15-6)10(2,3)7-4-9(11)14-13-7/h4-5H,11H2,1-3H3
InChIKeyXBEYLDZEXJIFCR-UHFFFAOYSA-N
XLogP2.35
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-amine (CID 58201726) is 3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-amine is Cc1ncc(C(C)(C)c2cc(N)on2)s1.
What is the InChIKey of 3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-amine?
The InChIKey is XBEYLDZEXJIFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-6-12-5-8(15-6)10(2,3)7-4-9(11)14-13-7/h4-5H,11H2,1-3H3.
What are the key properties of 3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-amine?
3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-amine has a molecular weight of 223.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-amine is sourced from PubChem (CID 58201726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).