N-(3-amino-4-methylphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide

C13H16N6OS — CID 43377161

IUPACN-(3-amino-4-methylphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nnnn2C2CC2)cc1N
InChIInChI=1S/C13H16N6OS/c1-8-2-3-9(6-11(8)14)15-12(20)7-21-13-16-17-18-19(13)10-4-5-10/h2-3,6,10H,4-5,7,14H2,1H3,(H,15,20)
InChIKeyRFWSZHCBHMWJAT-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.63
Rot. Bonds5

About N-(3-amino-4-methylphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide

N-(3-amino-4-methylphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide (PubChem CID 43377161) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
PubChem CID43377161
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC NameN-(3-amino-4-methylphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nnnn2C2CC2)cc1N
InChIInChI=1S/C13H16N6OS/c1-8-2-3-9(6-11(8)14)15-12(20)7-21-13-16-17-18-19(13)10-4-5-10/h2-3,6,10H,4-5,7,14H2,1H3,(H,15,20)
InChIKeyRFWSZHCBHMWJAT-UHFFFAOYSA-N
XLogP1.63
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 51244846
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 9207134
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31405406
N-(1,3-benzodioxol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 9204376
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 9439221
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 35493846
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 24521916
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 26388936
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 27096576
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[3-(2-phenylethynyl)phenyl]acetamide
CID 134004627
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 18098917
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 1440839

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide (CID 43377161) is N-(3-amino-4-methylphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide is Cc1ccc(NC(=O)CSc2nnnn2C2CC2)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is RFWSZHCBHMWJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-8-2-3-9(6-11(8)14)15-12(20)7-21-13-16-17-18-19(13)10-4-5-10/h2-3,6,10H,4-5,7,14H2,1H3,(H,15,20).
What are the key properties of N-(3-amino-4-methylphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
N-(3-amino-4-methylphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 304.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 43377161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).