5-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

C10H12N4O2S — CID 80616970

IUPAC5-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCc2ccc(C)o2)s1
InChIInChI=1S/C10H12N4O2S/c1-6-3-4-7(16-6)5-12-8(15)9-13-14-10(11-2)17-9/h3-4H,5H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyISVCDEFPWGSKES-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.41
Rot. Bonds4

About 5-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

5-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616970) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 5-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616970
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name5-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCc2ccc(C)o2)s1
InChIInChI=1S/C10H12N4O2S/c1-6-3-4-7(16-6)5-12-8(15)9-13-14-10(11-2)17-9/h3-4H,5H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyISVCDEFPWGSKES-UHFFFAOYSA-N
XLogP1.41
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(methylamino)-N-[(5-methylfuran-2-yl)methyl]pyridazine-3-carboxamide
CID 62524620
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 112671955
4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide
CID 53158295
N-(1H-imidazol-5-ylmethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80623437
6-(methylamino)-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 62523594
N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 12639716
N-[(5-methylfuran-2-yl)methyl]-4-pyridin-4-yl-1,3-thiazole-2-carboxamide
CID 53158272
N-[(6-methoxy-3-pyridinyl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617310
N-[2-(ethylamino)-2-oxoethyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615644
N-(2-methoxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615073
2-amino-5-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523939
5-methyl-2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 62523940

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 80616970) is 5-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NCc2ccc(C)o2)s1.
What is the InChIKey of 5-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is ISVCDEFPWGSKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-6-3-4-7(16-6)5-12-8(15)9-13-14-10(11-2)17-9/h3-4H,5H2,1-2H3,(H,11,14)(H,12,15).
What are the key properties of 5-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 252.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).