N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide

C14H15N5O2S2 — CID 50950078

IUPACN-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide
SMILESCC(c1nccs1)N(C)C(=O)c1ccc(CSc2ncn[nH]2)o1
InChIInChI=1S/C14H15N5O2S2/c1-9(12-15-5-6-22-12)19(2)13(20)11-4-3-10(21-11)7-23-14-16-8-17-18-14/h3-6,8-9H,7H2,1-2H3,(H,16,17,18)
InChIKeyAZJDOTVJKLJTJF-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.98
Rot. Bonds6

About N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide

N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide (PubChem CID 50950078) has the molecular formula C14H15N5O2S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide
PubChem CID50950078
Molecular FormulaC14H15N5O2S2
Molecular Weight349.44 g/mol
Exact Mass349.07
IUPAC NameN-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide
SMILESCC(c1nccs1)N(C)C(=O)c1ccc(CSc2ncn[nH]2)o1
InChIInChI=1S/C14H15N5O2S2/c1-9(12-15-5-6-22-12)19(2)13(20)11-4-3-10(21-11)7-23-14-16-8-17-18-14/h3-6,8-9H,7H2,1-2H3,(H,16,17,18)
InChIKeyAZJDOTVJKLJTJF-UHFFFAOYSA-N
XLogP2.98
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide (CID 50950078) is N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide is CC(c1nccs1)N(C)C(=O)c1ccc(CSc2ncn[nH]2)o1.
What is the InChIKey of N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is AZJDOTVJKLJTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S2/c1-9(12-15-5-6-22-12)19(2)13(20)11-4-3-10(21-11)7-23-14-16-8-17-18-14/h3-6,8-9H,7H2,1-2H3,(H,16,17,18).
What are the key properties of N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide?
N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-5-(1H-1,2,4-triazol-5-ylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 50950078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).