5-methyl-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]thiophene-2-carboxylic acid

C12H14N2O3S — CID 114180539

IUPAC5-methyl-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]thiophene-2-carboxylic acid
SMILESCc1cnc(CNCc2cc(C(=O)O)sc2C)o1
InChIInChI=1S/C12H14N2O3S/c1-7-4-14-11(17-7)6-13-5-9-3-10(12(15)16)18-8(9)2/h3-4,13H,5-6H2,1-2H3,(H,15,16)
InChIKeyINEALJSDRDWOJQ-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.34
Rot. Bonds5

About 5-methyl-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]thiophene-2-carboxylic acid

5-methyl-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]thiophene-2-carboxylic acid (PubChem CID 114180539) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-methyl-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]thiophene-2-carboxylic acid
PubChem CID114180539
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name5-methyl-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]thiophene-2-carboxylic acid
SMILESCc1cnc(CNCc2cc(C(=O)O)sc2C)o1
InChIInChI=1S/C12H14N2O3S/c1-7-4-14-11(17-7)6-13-5-9-3-10(12(15)16)18-8(9)2/h3-4,13H,5-6H2,1-2H3,(H,15,16)
InChIKeyINEALJSDRDWOJQ-UHFFFAOYSA-N
XLogP2.34
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103241491
4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-5-methylthiophene-2-carboxylic acid
CID 114136342
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 106372016
5-methyl-4-[(oxan-4-ylmethylamino)methyl]thiophene-2-carboxylic acid
CID 103250940
4-[(hydroxyamino)methyl]-5-methylthiophene-2-carboxylic acid
CID 103282710
2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid
CID 106373556
4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]-5-methylthiophene-2-carboxylic acid
CID 106287923
4-[[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]methyl]-5-methylthiophene-2-carboxylic acid
CID 114167528
5-methyl-4-[[[3-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]thiophene-2-carboxylic acid
CID 167950695
methyl 3-bromo-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzoate
CID 106372217
4-[[2-(carbamoylamino)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid
CID 103262458
5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1-benzofuran-2-carboxylic acid
CID 106373614

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]thiophene-2-carboxylic acid (CID 114180539) is 5-methyl-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]thiophene-2-carboxylic acid is Cc1cnc(CNCc2cc(C(=O)O)sc2C)o1.
What is the InChIKey of 5-methyl-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]thiophene-2-carboxylic acid?
The InChIKey is INEALJSDRDWOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-7-4-14-11(17-7)6-13-5-9-3-10(12(15)16)18-8(9)2/h3-4,13H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 5-methyl-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]thiophene-2-carboxylic acid?
5-methyl-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]thiophene-2-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 114180539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).