4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide

C11H11N3O3S — CID 53158295

IUPAC4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide
SMILESCc1ccc(CNC(=O)c2csc(C(N)=O)n2)o1
InChIInChI=1S/C11H11N3O3S/c1-6-2-3-7(17-6)4-13-10(16)8-5-18-11(14-8)9(12)15/h2-3,5H,4H2,1H3,(H2,12,15)(H,13,16)
InChIKeyCXGJLOUEGFMVAD-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.07
Rot. Bonds4

About 4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide

4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide (PubChem CID 53158295) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide
PubChem CID53158295
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide
SMILESCc1ccc(CNC(=O)c2csc(C(N)=O)n2)o1
InChIInChI=1S/C11H11N3O3S/c1-6-2-3-7(17-6)4-13-10(16)8-5-18-11(14-8)9(12)15/h2-3,5H,4H2,1H3,(H2,12,15)(H,13,16)
InChIKeyCXGJLOUEGFMVAD-UHFFFAOYSA-N
XLogP1.07
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(5-methylfuran-2-yl)methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697972
2-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66376144
4-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide
CID 53158291
N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide
CID 53158272
4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 62524791
3-chloro-6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 62522719
N-[2-(5-methylfuran-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72853939
6-(methylamino)-N-[(5-methylfuran-2-yl)methyl]pyridazine-3-carboxamide
CID 62524620
N-[(5-methylfuran-2-yl)methyl]-2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46114198
N-[(5-methylfuran-2-yl)methyl]-2-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036732
5-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616970
4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 55081452

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide?
The IUPAC name of 4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide (CID 53158295) is 4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide is Cc1ccc(CNC(=O)c2csc(C(N)=O)n2)o1.
What is the InChIKey of 4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide?
The InChIKey is CXGJLOUEGFMVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-6-2-3-7(17-6)4-13-10(16)8-5-18-11(14-8)9(12)15/h2-3,5H,4H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of 4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide?
4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide has a molecular weight of 265.29 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide is sourced from PubChem (CID 53158295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).