3-propan-2-yloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide

C15H20N6O2S — CID 969050

IUPAC3-propan-2-yloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
SMILESCCCn1nnc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)n1
InChIInChI=1S/C15H20N6O2S/c1-4-8-21-19-14(18-20-21)17-15(24)16-13(22)11-6-5-7-12(9-11)23-10(2)3/h5-7,9-10H,4,8H2,1-3H3,(H2,16,17,19,22,24)
InChIKeyGVAZPBYFORIMNJ-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.00
Rot. Bonds6

About 3-propan-2-yloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide

3-propan-2-yloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide (PubChem CID 969050) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3-propan-2-yloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
PubChem CID969050
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name3-propan-2-yloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
SMILESCCCn1nnc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)n1
InChIInChI=1S/C15H20N6O2S/c1-4-8-21-19-14(18-20-21)17-15(24)16-13(22)11-6-5-7-12(9-11)23-10(2)3/h5-7,9-10H,4,8H2,1-3H3,(H2,16,17,19,22,24)
InChIKeyGVAZPBYFORIMNJ-UHFFFAOYSA-N
XLogP2.00
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-butan-2-yloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 3338872
4-(2-methylpropoxy)-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 3338877
4-methyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 959838
3,4,5-triethoxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 5109132
N-[(2-butyltetrazol-5-yl)carbamothioyl]-4-propan-2-ylbenzamide
CID 4310789
N-(phenylcarbamothioyl)-3-propan-2-yloxybenzamide
CID 823875
N-[(4-carbamoylphenyl)carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142636
N-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 9184933
N-[(2-butyltetrazol-5-yl)carbamothioyl]-4-phenylmethoxybenzamide
CID 3422099
N-[[3-(hexanoylamino)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 26161976
3-chloro-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 931371
4-[(3-propan-2-yloxybenzoyl)carbamothioylamino]benzoate
CID 7316263

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide?
The IUPAC name of 3-propan-2-yloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide (CID 969050) is 3-propan-2-yloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide.
What is the SMILES notation for 3-propan-2-yloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide?
The canonical SMILES for 3-propan-2-yloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide is CCCn1nnc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)n1.
What is the InChIKey of 3-propan-2-yloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide?
The InChIKey is GVAZPBYFORIMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-4-8-21-19-14(18-20-21)17-15(24)16-13(22)11-6-5-7-12(9-11)23-10(2)3/h5-7,9-10H,4,8H2,1-3H3,(H2,16,17,19,22,24).
What are the key properties of 3-propan-2-yloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide?
3-propan-2-yloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide has a molecular weight of 348.43 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide is sourced from PubChem (CID 969050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).