N-[4-[(5-ethyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide

C10H14N6OS — CID 47461018

IUPACN-[4-[(5-ethyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCCc1nnnn1Cc1csc(N(C)C(C)=O)n1
InChIInChI=1S/C10H14N6OS/c1-4-9-12-13-14-16(9)5-8-6-18-10(11-8)15(3)7(2)17/h6H,4-5H2,1-3H3
InChIKeyPUVAJLIVOQDILV-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.72
Rot. Bonds4

About N-[4-[(5-ethyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide

N-[4-[(5-ethyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide (PubChem CID 47461018) has the molecular formula C10H14N6OS and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[4-[(5-ethyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[(5-ethyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide
PubChem CID47461018
Molecular FormulaC10H14N6OS
Molecular Weight266.33 g/mol
Exact Mass266.09
IUPAC NameN-[4-[(5-ethyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide
SMILESCCc1nnnn1Cc1csc(N(C)C(C)=O)n1
InChIInChI=1S/C10H14N6OS/c1-4-9-12-13-14-16(9)5-8-6-18-10(11-8)15(3)7(2)17/h6H,4-5H2,1-3H3
InChIKeyPUVAJLIVOQDILV-UHFFFAOYSA-N
XLogP0.72
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-ethyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The IUPAC name of N-[4-[(5-ethyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide (CID 47461018) is N-[4-[(5-ethyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[4-[(5-ethyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-[4-[(5-ethyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide is CCc1nnnn1Cc1csc(N(C)C(C)=O)n1.
What is the InChIKey of N-[4-[(5-ethyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
The InChIKey is PUVAJLIVOQDILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS/c1-4-9-12-13-14-16(9)5-8-6-18-10(11-8)15(3)7(2)17/h6H,4-5H2,1-3H3.
What are the key properties of N-[4-[(5-ethyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide?
N-[4-[(5-ethyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide has a molecular weight of 266.33 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-ethyltetrazol-1-yl)methyl]-1,3-thiazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 47461018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).