4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide

C12H15N3O2S — CID 106368458

IUPAC4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide
SMILESCCc1cnc(CNC(=O)c2cc(N)c(C)s2)o1
InChIInChI=1S/C12H15N3O2S/c1-3-8-5-14-11(17-8)6-15-12(16)10-4-9(13)7(2)18-10/h4-5H,3,6,13H2,1-2H3,(H,15,16)
InChIKeyDEZNEWZLURFYEF-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.12
Rot. Bonds4

About 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide

4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide (PubChem CID 106368458) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide
PubChem CID106368458
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide
SMILESCCc1cnc(CNC(=O)c2cc(N)c(C)s2)o1
InChIInChI=1S/C12H15N3O2S/c1-3-8-5-14-11(17-8)6-15-12(16)10-4-9(13)7(2)18-10/h4-5H,3,6,13H2,1-2H3,(H,15,16)
InChIKeyDEZNEWZLURFYEF-UHFFFAOYSA-N
XLogP2.12
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-2-carboxamide
CID 104935632
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide
CID 106368562
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide
CID 106377037
4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 106899155
2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106368469
2-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanamide
CID 106370796
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 154839750
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 61139794
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 106377448
4-amino-1-cyclopropyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrole-2-carboxamide
CID 106368478
4-amino-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-carboxamide
CID 106387400

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide (CID 106368458) is 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide is CCc1cnc(CNC(=O)c2cc(N)c(C)s2)o1.
What is the InChIKey of 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is DEZNEWZLURFYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-8-5-14-11(17-8)6-15-12(16)10-4-9(13)7(2)18-10/h4-5H,3,6,13H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide?
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 106368458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).