N-[(2-methyltetrazol-5-yl)carbamothioyl]-2-phenylacetamide

C11H12N6OS — CID 953410

IUPACN-[(2-methyltetrazol-5-yl)carbamothioyl]-2-phenylacetamide
SMILESCn1nnc(NC(=S)NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C11H12N6OS/c1-17-15-10(14-16-17)13-11(19)12-9(18)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,15,18,19)
InChIKeyGMVNXDRVJQRXIL-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.27
Rot. Bonds3

About N-[(2-methyltetrazol-5-yl)carbamothioyl]-2-phenylacetamide

N-[(2-methyltetrazol-5-yl)carbamothioyl]-2-phenylacetamide (PubChem CID 953410) has the molecular formula C11H12N6OS and a molecular weight of 276.33 g/mol. Its IUPAC name is N-[(2-methyltetrazol-5-yl)carbamothioyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2-methyltetrazol-5-yl)carbamothioyl]-2-phenylacetamide
PubChem CID953410
Molecular FormulaC11H12N6OS
Molecular Weight276.33 g/mol
Exact Mass276.08
IUPAC NameN-[(2-methyltetrazol-5-yl)carbamothioyl]-2-phenylacetamide
SMILESCn1nnc(NC(=S)NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C11H12N6OS/c1-17-15-10(14-16-17)13-11(19)12-9(18)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,15,18,19)
InChIKeyGMVNXDRVJQRXIL-UHFFFAOYSA-N
XLogP0.27
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.27
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
Sulfonamide deriv., 8
CID 44520906
N-(2-ethyltetrazol-5-yl)-2,2-diphenylacetamide
CID 965740
2-phenyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 821620
2-phenyl-N-[(2-propyl-2H-tetrazol-5-yl)carbamothioyl]acetamide
CID 1395238
3-phenyl-N-(1H-tetrazol-5-yl)propanamide
CID 887745
1-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 976753
N-(2-methyltetrazol-5-yl)-2,2-diphenylacetamide
CID 662625
2,2-diphenyl-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893784
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 839901
3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 871225
4-phenyl-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 1086939

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyltetrazol-5-yl)carbamothioyl]-2-phenylacetamide?
The IUPAC name of N-[(2-methyltetrazol-5-yl)carbamothioyl]-2-phenylacetamide (CID 953410) is N-[(2-methyltetrazol-5-yl)carbamothioyl]-2-phenylacetamide.
What is the SMILES notation for N-[(2-methyltetrazol-5-yl)carbamothioyl]-2-phenylacetamide?
The canonical SMILES for N-[(2-methyltetrazol-5-yl)carbamothioyl]-2-phenylacetamide is Cn1nnc(NC(=S)NC(=O)Cc2ccccc2)n1.
What is the InChIKey of N-[(2-methyltetrazol-5-yl)carbamothioyl]-2-phenylacetamide?
The InChIKey is GMVNXDRVJQRXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c1-17-15-10(14-16-17)13-11(19)12-9(18)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,15,18,19).
What are the key properties of N-[(2-methyltetrazol-5-yl)carbamothioyl]-2-phenylacetamide?
N-[(2-methyltetrazol-5-yl)carbamothioyl]-2-phenylacetamide has a molecular weight of 276.33 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyltetrazol-5-yl)carbamothioyl]-2-phenylacetamide is sourced from PubChem (CID 953410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).