N-[(5-methylthiophen-2-yl)methyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide

C14H20N6OS — CID 26331251

IUPACN-[(5-methylthiophen-2-yl)methyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
SMILESCc1ccc(CNC(=O)Cn2nnnc2CN2CCCC2)s1
InChIInChI=1S/C14H20N6OS/c1-11-4-5-12(22-11)8-15-14(21)10-20-13(16-17-18-20)9-19-6-2-3-7-19/h4-5H,2-3,6-10H2,1H3,(H,15,21)
InChIKeyKLHQSAKMAOKYNO-UHFFFAOYSA-N
MW320.42 g/mol
LogP0.96
Rot. Bonds6

About N-[(5-methylthiophen-2-yl)methyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide

N-[(5-methylthiophen-2-yl)methyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide (PubChem CID 26331251) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
PubChem CID26331251
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide
SMILESCc1ccc(CNC(=O)Cn2nnnc2CN2CCCC2)s1
InChIInChI=1S/C14H20N6OS/c1-11-4-5-12(22-11)8-15-14(21)10-20-13(16-17-18-20)9-19-6-2-3-7-19/h4-5H,2-3,6-10H2,1H3,(H,15,21)
InChIKeyKLHQSAKMAOKYNO-UHFFFAOYSA-N
XLogP0.96
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide (CID 26331251) is N-[(5-methylthiophen-2-yl)methyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide is Cc1ccc(CNC(=O)Cn2nnnc2CN2CCCC2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
The InChIKey is KLHQSAKMAOKYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-11-4-5-12(22-11)8-15-14(21)10-20-13(16-17-18-20)9-19-6-2-3-7-19/h4-5H,2-3,6-10H2,1H3,(H,15,21).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide?
N-[(5-methylthiophen-2-yl)methyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide has a molecular weight of 320.42 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetamide is sourced from PubChem (CID 26331251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).