N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide

C9H11N5OS — CID 106011879

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide
SMILESCCc1ccc(CNC(=O)c2nn[nH]n2)s1
InChIInChI=1S/C9H11N5OS/c1-2-6-3-4-7(16-6)5-10-9(15)8-11-13-14-12-8/h3-4H,2,5H2,1H3,(H,10,15)(H,11,12,13,14)
InChIKeyUZTKYLDQHGUHDX-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.75
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide

N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide (PubChem CID 106011879) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide
PubChem CID106011879
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide
SMILESCCc1ccc(CNC(=O)c2nn[nH]n2)s1
InChIInChI=1S/C9H11N5OS/c1-2-6-3-4-7(16-6)5-10-9(15)8-11-13-14-12-8/h3-4H,2,5H2,1H3,(H,10,15)(H,11,12,13,14)
InChIKeyUZTKYLDQHGUHDX-UHFFFAOYSA-N
XLogP0.75
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazol-5-amine
CID 131141119
5-ethyl-N-[(5-ethylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 78876589
N-[(5-ethylthiophen-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103749033
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46475867
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 113223204
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-6-methylpyridine-4-carboxamide
CID 106015823
N-[(5-ethylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257144
N-[(5-ethylthiophen-2-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 106012825
2-bromo-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 113255164
N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 113252821
2-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methylpropanamide
CID 103630100
5-bromo-2-chloro-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 99355657

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide (CID 106011879) is N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide is CCc1ccc(CNC(=O)c2nn[nH]n2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide?
The InChIKey is UZTKYLDQHGUHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-2-6-3-4-7(16-6)5-10-9(15)8-11-13-14-12-8/h3-4H,2,5H2,1H3,(H,10,15)(H,11,12,13,14).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide?
N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide has a molecular weight of 237.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-carboxamide is sourced from PubChem (CID 106011879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).