N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide

C14H13N5OS — CID 30414133

IUPACN-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide
SMILESCn1nnnc1-c1cccc(NC(=O)Cc2ccsc2)c1
InChIInChI=1S/C14H13N5OS/c1-19-14(16-17-18-19)11-3-2-4-12(8-11)15-13(20)7-10-5-6-21-9-10/h2-6,8-9H,7H2,1H3,(H,15,20)
InChIKeyZMOYKMMXGMWKQK-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.12
Rot. Bonds4

About N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide

N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide (PubChem CID 30414133) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide
PubChem CID30414133
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC NameN-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide
SMILESCn1nnnc1-c1cccc(NC(=O)Cc2ccsc2)c1
InChIInChI=1S/C14H13N5OS/c1-19-14(16-17-18-19)11-3-2-4-12(8-11)15-13(20)7-10-5-6-21-9-10/h2-6,8-9H,7H2,1H3,(H,15,20)
InChIKeyZMOYKMMXGMWKQK-UHFFFAOYSA-N
XLogP2.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-(1-methyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide
CID 26124033
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 41357756
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
2-(4-methylphenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122709
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26123101
N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 26124808
4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide
CID 26124801
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
N-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 32977130

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide (CID 30414133) is N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide is Cn1nnnc1-c1cccc(NC(=O)Cc2ccsc2)c1.
What is the InChIKey of N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide?
The InChIKey is ZMOYKMMXGMWKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-19-14(16-17-18-19)11-3-2-4-12(8-11)15-13(20)7-10-5-6-21-9-10/h2-6,8-9H,7H2,1H3,(H,15,20).
What are the key properties of N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide?
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide has a molecular weight of 299.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 30414133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).