N-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide

C10H11N5OS — CID 110499506

IUPACN-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESCSc1cccc(NC(=O)Cc2nn[nH]n2)c1
InChIInChI=1S/C10H11N5OS/c1-17-8-4-2-3-7(5-8)11-10(16)6-9-12-14-15-13-9/h2-5H,6H2,1H3,(H,11,16)(H,12,13,14,15)
InChIKeyADTABNYWJHRBFW-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.10
Rot. Bonds4

About N-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide

N-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110499506) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110499506
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC NameN-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESCSc1cccc(NC(=O)Cc2nn[nH]n2)c1
InChIInChI=1S/C10H11N5OS/c1-17-8-4-2-3-7(5-8)11-10(16)6-9-12-14-15-13-9/h2-5H,6H2,1H3,(H,11,16)(H,12,13,14,15)
InChIKeyADTABNYWJHRBFW-UHFFFAOYSA-N
XLogP1.10
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499400
2-(4-carbamothioylphenyl)-N-(3-methylsulfanylphenyl)acetamide
CID 63589779
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
N-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499514
N-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 4802653
N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 2799348
N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499439
2-isocyano-N-(3-methylsulfanylphenyl)acetamide
CID 108814742
4-(3-methylsulfanylanilino)-4-oxobutanoate
CID 4085618
N-[3-(2H-tetrazol-5-ylsulfanyl)phenyl]acetamide
CID 54074101
N-(3-methylsulfanylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 112778206
N-(3-methylsulfanylphenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439326

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide (CID 110499506) is N-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide is CSc1cccc(NC(=O)Cc2nn[nH]n2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is ADTABNYWJHRBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-17-8-4-2-3-7(5-8)11-10(16)6-9-12-14-15-13-9/h2-5H,6H2,1H3,(H,11,16)(H,12,13,14,15).
What are the key properties of N-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide?
N-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 249.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110499506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).