4,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine

C9H11N3OS — CID 130662938

IUPAC4,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCc2cocn2)sc1C
InChIInChI=1S/C9H11N3OS/c1-6-7(2)14-9(12-6)10-3-8-4-13-5-11-8/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyDSBSWBUSSSUBLY-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.36
Rot. Bonds3

About 4,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine

4,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 130662938) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 4,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine
PubChem CID130662938
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name4,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCc2cocn2)sc1C
InChIInChI=1S/C9H11N3OS/c1-6-7(2)14-9(12-6)10-3-8-4-13-5-11-8/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyDSBSWBUSSSUBLY-UHFFFAOYSA-N
XLogP2.36
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine (CID 130662938) is 4,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine is Cc1nc(NCc2cocn2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is DSBSWBUSSSUBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-6-7(2)14-9(12-6)10-3-8-4-13-5-11-8/h4-5H,3H2,1-2H3,(H,10,12).
What are the key properties of 4,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine?
4,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 209.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130662938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).