N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

C12H11N5O2S — CID 862079

IUPACN-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2cccs2)n1)NCc1ccco1
InChIInChI=1S/C12H11N5O2S/c18-11(13-7-9-3-1-5-19-9)8-17-15-12(14-16-17)10-4-2-6-20-10/h1-6H,7-8H2,(H,13,18)
InChIKeyYAGAIXATBKGKBW-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.31
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 862079) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID862079
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC NameN-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2cccs2)n1)NCc1ccco1
InChIInChI=1S/C12H11N5O2S/c18-11(13-7-9-3-1-5-19-9)8-17-15-12(14-16-17)10-4-2-6-20-10/h1-6H,7-8H2,(H,13,18)
InChIKeyYAGAIXATBKGKBW-UHFFFAOYSA-N
XLogP1.31
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-{[4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 829924
N-(furan-2-ylmethyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2093798
N-Cyclopentyl-2-furan-2-yl-2-({2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-thiophen-2-ylmethyl-amino)-acetamide
CID 646873
N-Cyclopentyl-2-{furan-2-ylmethyl-[2-(5-thiophen-2-yl-tetrazol-2-yl)-acetyl]-amino}-2-thiophen-2-yl-acetamide
CID 647158
N-tert-butyl-2-(2-furanyl)-2-[[2-[5-(5-methyl-2-furanyl)-2-tetrazolyl]-1-oxoethyl]-(thiophen-2-ylmethyl)amino]acetamide
CID 648700
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-N-phenethyl-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 649663
N-(Benzylcarbamoyl-methyl)-N-furan-2-ylmethyl-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 653806
2-(4-Ethyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 655642
2-{[4-ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}-N-(2-furylmethyl)acetamide
CID 832348
N-(2-furylmethyl)-2-{[4-methyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
CID 860469
N-Cyclohexyl-2-furan-2-yl-2-({2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-thiophen-2-ylmethyl-amino)-acetamide
CID 3174912
2-{[5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}-N-(2-thienylmethyl)acetamide
CID 860185

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 862079) is N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2cccs2)n1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is YAGAIXATBKGKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c18-11(13-7-9-3-1-5-19-9)8-17-15-12(14-16-17)10-4-2-6-20-10/h1-6H,7-8H2,(H,13,18).
What are the key properties of N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 289.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 862079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).