2-(5-aminotetrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide

C14H15N7OS — CID 131902251

IUPAC2-(5-aminotetrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESNc1nnnn1CC(=O)NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H15N7OS/c15-14-18-19-20-21(14)8-12(22)16-7-6-13-17-11(9-23-13)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,16,22)(H2,15,18,20)
InChIKeyPCYJAHCXRHAZAK-UHFFFAOYSA-N
MW329.39 g/mol
LogP0.74
Rot. Bonds6

About 2-(5-aminotetrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide

2-(5-aminotetrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 131902251) has the molecular formula C14H15N7OS and a molecular weight of 329.39 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID131902251
Molecular FormulaC14H15N7OS
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Name2-(5-aminotetrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESNc1nnnn1CC(=O)NCCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H15N7OS/c15-14-18-19-20-21(14)8-12(22)16-7-6-13-17-11(9-23-13)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,16,22)(H2,15,18,20)
InChIKeyPCYJAHCXRHAZAK-UHFFFAOYSA-N
XLogP0.74
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide
CID 127045820
3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442461
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110440328
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 25386042
1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 127048003
3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 75490067
2-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 39071753
2-[2-[[2-(5-phenylpyrazol-1-yl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 167816023
(9S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125176271
3-(4-methylpyrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 90649319
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 77079887

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide (CID 131902251) is 2-(5-aminotetrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide is Nc1nnnn1CC(=O)NCCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is PCYJAHCXRHAZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7OS/c15-14-18-19-20-21(14)8-12(22)16-7-6-13-17-11(9-23-13)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,16,22)(H2,15,18,20).
What are the key properties of 2-(5-aminotetrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide?
2-(5-aminotetrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 329.39 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 131902251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).