N-[1-(hydroxymethyl)cyclobutyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

C12H15N5O2S — CID 115878438

IUPACN-[1-(hydroxymethyl)cyclobutyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccsc2)n1)NC1(CO)CCC1
InChIInChI=1S/C12H15N5O2S/c18-8-12(3-1-4-12)13-10(19)6-17-15-11(14-16-17)9-2-5-20-7-9/h2,5,7,18H,1,3-4,6,8H2,(H,13,19)
InChIKeyBCSUOYKDOXNBFT-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.43
Rot. Bonds5

About N-[1-(hydroxymethyl)cyclobutyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide

N-[1-(hydroxymethyl)cyclobutyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (PubChem CID 115878438) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
PubChem CID115878438
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccsc2)n1)NC1(CO)CCC1
InChIInChI=1S/C12H15N5O2S/c18-8-12(3-1-4-12)13-10(19)6-17-15-11(14-16-17)9-2-5-20-7-9/h2,5,7,18H,1,3-4,6,8H2,(H,13,19)
InChIKeyBCSUOYKDOXNBFT-UHFFFAOYSA-N
XLogP0.43
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200
N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)acetamide;hydrochloride
CID 119567346
N-[2-(hydroxymethyl)cyclopentyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 103774248
N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 60709492
2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid
CID 63912512
N-(5-hydroxypentyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 107318628
4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 43245246
3-methyl-4-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 81065022
2-(5-thiophen-3-yltetrazol-2-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 61216097
N-[1-(aminomethyl)cyclopentyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide;hydrochloride
CID 126777112
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide (CID 115878438) is N-[1-(hydroxymethyl)cyclobutyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccsc2)n1)NC1(CO)CCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
The InChIKey is BCSUOYKDOXNBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c18-8-12(3-1-4-12)13-10(19)6-17-15-11(14-16-17)9-2-5-20-7-9/h2,5,7,18H,1,3-4,6,8H2,(H,13,19).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide?
N-[1-(hydroxymethyl)cyclobutyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide has a molecular weight of 293.35 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 115878438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).