4-ethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazol-2-amine

C10H13N3OS — CID 138031216

IUPAC4-ethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCCc1csc(NCc2nocc2C)n1
InChIInChI=1S/C10H13N3OS/c1-3-8-6-15-10(12-8)11-4-9-7(2)5-14-13-9/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyRHCPOAKPZPEVHQ-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.61
Rot. Bonds4

About 4-ethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazol-2-amine

4-ethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 138031216) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 4-ethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID138031216
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name4-ethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCCc1csc(NCc2nocc2C)n1
InChIInChI=1S/C10H13N3OS/c1-3-8-6-15-10(12-8)11-4-9-7(2)5-14-13-9/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyRHCPOAKPZPEVHQ-UHFFFAOYSA-N
XLogP2.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazol-2-amine (CID 138031216) is 4-ethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazol-2-amine is CCc1csc(NCc2nocc2C)n1.
What is the InChIKey of 4-ethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is RHCPOAKPZPEVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-3-8-6-15-10(12-8)11-4-9-7(2)5-14-13-9/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 4-ethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazol-2-amine?
4-ethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 223.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(4-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 138031216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).