2-phenyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]acetamide

C13H16N6OS — CID 1395238

IUPAC2-phenyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]acetamide
SMILESCCCn1nnc(NC(=S)NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C13H16N6OS/c1-2-8-19-17-12(16-18-19)15-13(21)14-11(20)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,14,15,17,20,21)
InChIKeyJYONDCBVWQEERX-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.14
Rot. Bonds5

About 2-phenyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]acetamide

2-phenyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]acetamide (PubChem CID 1395238) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-phenyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]acetamide
PubChem CID1395238
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name2-phenyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]acetamide
SMILESCCCn1nnc(NC(=S)NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C13H16N6OS/c1-2-8-19-17-12(16-18-19)15-13(21)14-11(20)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,14,15,17,20,21)
InChIKeyJYONDCBVWQEERX-UHFFFAOYSA-N
XLogP1.14
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 953455
N-(2-ethyltetrazol-5-yl)-2,2-diphenylacetamide
CID 965740
2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 821620
N-(2-Ethyl-2H-tetrazol-5-yl)-2,2-diphenylpropanamide
CID 953142
N-(2-methyltetrazol-5-yl)-2,2-diphenylacetamide
CID 662625
2,2-diphenyl-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893784
3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 871225
4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 1086939
N-(2-butyl-2H-tetrazol-5-yl)-2,2-diphenylacetamide
CID 2219050
2-phenyl-N-(2-propyltetrazol-5-yl)acetamide
CID 893243
3-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 3155175
2-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 647921

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]acetamide?
The IUPAC name of 2-phenyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]acetamide (CID 1395238) is 2-phenyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]acetamide?
The canonical SMILES for 2-phenyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]acetamide is CCCn1nnc(NC(=S)NC(=O)Cc2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]acetamide?
The InChIKey is JYONDCBVWQEERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-2-8-19-17-12(16-18-19)15-13(21)14-11(20)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,14,15,17,20,21).
What are the key properties of 2-phenyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]acetamide?
2-phenyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]acetamide has a molecular weight of 304.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]acetamide is sourced from PubChem (CID 1395238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).