N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

C13H14N6OS — CID 9128230

IUPACN-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESC[C@@](C#N)(NC(=O)Cn1nnc(-c2ccsc2)n1)C1CC1
InChIInChI=1S/C13H14N6OS/c1-13(8-14,10-2-3-10)15-11(20)6-19-17-12(16-18-19)9-4-5-21-7-9/h4-5,7,10H,2-3,6H2,1H3,(H,15,20)/t13-/m0/s1
InChIKeyOOQLGONOFUPMIU-ZDUSSCGKSA-N
MW302.36 g/mol
LogP1.21
Rot. Bonds5

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (PubChem CID 9128230) has the molecular formula C13H14N6OS and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
PubChem CID9128230
Molecular FormulaC13H14N6OS
Molecular Weight302.36 g/mol
Exact Mass302.09
IUPAC NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESC[C@@](C#N)(NC(=O)Cn1nnc(-c2ccsc2)n1)C1CC1
InChIInChI=1S/C13H14N6OS/c1-13(8-14,10-2-3-10)15-11(20)6-19-17-12(16-18-19)9-4-5-21-7-9/h4-5,7,10H,2-3,6H2,1H3,(H,15,20)/t13-/m0/s1
InChIKeyOOQLGONOFUPMIU-ZDUSSCGKSA-N
XLogP1.21
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide with MolForge

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Related Compounds

N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7350192
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]acetamide
CID 94813057
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 7350365
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677773
N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 60709492
N-[(1R,2R)-2-methylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128184
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 11936841
N-[2-(hydroxymethyl)cyclopentyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 103774248
N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200
N-(2-ethylbutyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 115612942
2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 61216097
2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid
CID 63912512

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (CID 9128230) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is C[C@@](C#N)(NC(=O)Cn1nnc(-c2ccsc2)n1)C1CC1.
What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The InChIKey is OOQLGONOFUPMIU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H14N6OS/c1-13(8-14,10-2-3-10)15-11(20)6-19-17-12(16-18-19)9-4-5-21-7-9/h4-5,7,10H,2-3,6H2,1H3,(H,15,20)/t13-/m0/s1.
What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide has a molecular weight of 302.36 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 9128230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).