N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C13H17N3O2S2 — CID 5329673

IUPACN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCCc1cnc(CSc2cnc(NC(=O)C(C)C)s2)o1
InChIInChI=1S/C13H17N3O2S2/c1-4-9-5-14-10(18-9)7-19-11-6-15-13(20-11)16-12(17)8(2)3/h5-6,8H,4,7H2,1-3H3,(H,15,16,17)
InChIKeyHFMGTBLBSYZDFW-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.58
Rot. Bonds6

About N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide

N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 5329673) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID5329673
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC NameN-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCCc1cnc(CSc2cnc(NC(=O)C(C)C)s2)o1
InChIInChI=1S/C13H17N3O2S2/c1-4-9-5-14-10(18-9)7-19-11-6-15-13(20-11)16-12(17)8(2)3/h5-6,8H,4,7H2,1-3H3,(H,15,16,17)
InChIKeyHFMGTBLBSYZDFW-UHFFFAOYSA-N
XLogP3.58
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 5329673) is N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide is CCc1cnc(CSc2cnc(NC(=O)C(C)C)s2)o1.
What is the InChIKey of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is HFMGTBLBSYZDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-4-9-5-14-10(18-9)7-19-11-6-15-13(20-11)16-12(17)8(2)3/h5-6,8H,4,7H2,1-3H3,(H,15,16,17).
What are the key properties of N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 311.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 5329673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).