N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide

C9H9N7OS — CID 60802869

IUPACN-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
SMILESNCC#Cc1cnc(NC(=O)Cn2cnnn2)s1
InChIInChI=1S/C9H9N7OS/c10-3-1-2-7-4-11-9(18-7)13-8(17)5-16-6-12-14-15-16/h4,6H,3,5,10H2,(H,11,13,17)
InChIKeyDAUGTMPLUNMZNH-UHFFFAOYSA-N
MW263.29 g/mol
LogP-0.92
Rot. Bonds3

About N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide

N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide (PubChem CID 60802869) has the molecular formula C9H9N7OS and a molecular weight of 263.29 g/mol. Its IUPAC name is N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
PubChem CID60802869
Molecular FormulaC9H9N7OS
Molecular Weight263.29 g/mol
Exact Mass263.06
IUPAC NameN-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
SMILESNCC#Cc1cnc(NC(=O)Cn2cnnn2)s1
InChIInChI=1S/C9H9N7OS/c10-3-1-2-7-4-11-9(18-7)13-8(17)5-16-6-12-14-15-16/h4,6H,3,5,10H2,(H,11,13,17)
InChIKeyDAUGTMPLUNMZNH-UHFFFAOYSA-N
XLogP-0.92
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide (CID 60802869) is N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide is NCC#Cc1cnc(NC(=O)Cn2cnnn2)s1.
What is the InChIKey of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is DAUGTMPLUNMZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7OS/c10-3-1-2-7-4-11-9(18-7)13-8(17)5-16-6-12-14-15-16/h4,6H,3,5,10H2,(H,11,13,17).
What are the key properties of N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 263.29 g/mol, XLogP of -0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 60802869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).