N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3-oxazol-4-yl)propanamide

C11H13N3O2S — CID 110679135

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3-oxazol-4-yl)propanamide
SMILESCc1nc(NC(=O)CCc2cocn2)sc1C
InChIInChI=1S/C11H13N3O2S/c1-7-8(2)17-11(13-7)14-10(15)4-3-9-5-16-6-12-9/h5-6H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyWPMVPMBQJWCNNF-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.32
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3-oxazol-4-yl)propanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3-oxazol-4-yl)propanamide (PubChem CID 110679135) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3-oxazol-4-yl)propanamide
PubChem CID110679135
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3-oxazol-4-yl)propanamide
SMILESCc1nc(NC(=O)CCc2cocn2)sc1C
InChIInChI=1S/C11H13N3O2S/c1-7-8(2)17-11(13-7)14-10(15)4-3-9-5-16-6-12-9/h5-6H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyWPMVPMBQJWCNNF-UHFFFAOYSA-N
XLogP2.32
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3-oxazol-4-yl)propanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3-oxazol-4-yl)propanamide (CID 110679135) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3-oxazol-4-yl)propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3-oxazol-4-yl)propanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3-oxazol-4-yl)propanamide is Cc1nc(NC(=O)CCc2cocn2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3-oxazol-4-yl)propanamide?
The InChIKey is WPMVPMBQJWCNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7-8(2)17-11(13-7)14-10(15)4-3-9-5-16-6-12-9/h5-6H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3-oxazol-4-yl)propanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3-oxazol-4-yl)propanamide has a molecular weight of 251.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3-oxazol-4-yl)propanamide is sourced from PubChem (CID 110679135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).