N-methyl-5-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide

C11H14N4O2S — CID 64509939

IUPACN-methyl-5-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)N(C)Cc2ncn[nH]2)o1
InChIInChI=1S/C11H14N4O2S/c1-15(5-10-12-7-13-14-10)11(16)9-4-3-8(17-9)6-18-2/h3-4,7H,5-6H2,1-2H3,(H,12,13,14)
InChIKeyFTLDLNYDGMAISA-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.53
Rot. Bonds5

About N-methyl-5-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide

N-methyl-5-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide (PubChem CID 64509939) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-methyl-5-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
PubChem CID64509939
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-methyl-5-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)N(C)Cc2ncn[nH]2)o1
InChIInChI=1S/C11H14N4O2S/c1-15(5-10-12-7-13-14-10)11(16)9-4-3-8(17-9)6-18-2/h3-4,7H,5-6H2,1-2H3,(H,12,13,14)
InChIKeyFTLDLNYDGMAISA-UHFFFAOYSA-N
XLogP1.53
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
CID 64509906
5-(methylsulfanylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-carboxamide
CID 64548096
N-methoxy-N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 60644798
5-bromo-N-[2-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 64510329
N-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64510523
6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 64519091
2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64511840
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethylsulfanyl)benzamide
CID 64512037
2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64519414
3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512231
N-methyl-4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 64518148
3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide
CID 64518259

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-methyl-5-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide (CID 64509939) is N-methyl-5-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-methyl-5-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-methyl-5-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide is CSCc1ccc(C(=O)N(C)Cc2ncn[nH]2)o1.
What is the InChIKey of N-methyl-5-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide?
The InChIKey is FTLDLNYDGMAISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-15(5-10-12-7-13-14-10)11(16)9-4-3-8(17-9)6-18-2/h3-4,7H,5-6H2,1-2H3,(H,12,13,14).
What are the key properties of N-methyl-5-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide?
N-methyl-5-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide has a molecular weight of 266.33 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 64509939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).