N-methyl-2-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide

C10H13N5OS — CID 146124066

IUPACN-methyl-2-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(c1cccs1)N(C)C(=O)Cn1cnnn1
InChIInChI=1S/C10H13N5OS/c1-8(9-4-3-5-17-9)14(2)10(16)6-15-7-11-12-13-15/h3-5,7-8H,6H2,1-2H3
InChIKeyXUWBOHVAQPYLQC-UHFFFAOYSA-N
MW251.32 g/mol
LogP0.95
Rot. Bonds4

About N-methyl-2-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide

N-methyl-2-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 146124066) has the molecular formula C10H13N5OS and a molecular weight of 251.32 g/mol. Its IUPAC name is N-methyl-2-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID146124066
Molecular FormulaC10H13N5OS
Molecular Weight251.32 g/mol
Exact Mass251.08
IUPAC NameN-methyl-2-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(c1cccs1)N(C)C(=O)Cn1cnnn1
InChIInChI=1S/C10H13N5OS/c1-8(9-4-3-5-17-9)14(2)10(16)6-15-7-11-12-13-15/h3-5,7-8H,6H2,1-2H3
InChIKeyXUWBOHVAQPYLQC-UHFFFAOYSA-N
XLogP0.95
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of N-methyl-2-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide (CID 146124066) is N-methyl-2-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide is CC(c1cccs1)N(C)C(=O)Cn1cnnn1.
What is the InChIKey of N-methyl-2-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is XUWBOHVAQPYLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-8(9-4-3-5-17-9)14(2)10(16)6-15-7-11-12-13-15/h3-5,7-8H,6H2,1-2H3.
What are the key properties of N-methyl-2-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
N-methyl-2-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 251.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(tetrazol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 146124066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).