N-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide

C15H20N6O2S — CID 9184933

IUPACN-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide
SMILESCCn1nnc(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)n1
InChIInChI=1S/C15H20N6O2S/c1-4-21-19-14(18-20-21)17-15(24)16-13(22)11-5-7-12(8-6-11)23-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,16,17,19,22,24)
InChIKeyBBKCRTXPJPUHMG-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.85
Rot. Bonds6

About N-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide

N-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide (PubChem CID 9184933) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide
PubChem CID9184933
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC NameN-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide
SMILESCCn1nnc(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)n1
InChIInChI=1S/C15H20N6O2S/c1-4-21-19-14(18-20-21)17-15(24)16-13(22)11-5-7-12(8-6-11)23-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,16,17,19,22,24)
InChIKeyBBKCRTXPJPUHMG-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
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

4-(2-methylpropoxy)-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 3338877
4-chloro-N-[[2-(2-methylpropyl)tetrazol-5-yl]carbamothioyl]benzamide
CID 17099345
N-[(2-butyltetrazol-5-yl)carbamothioyl]-4-phenylmethoxybenzamide
CID 3422099
N-[(2-ethyltetrazol-5-yl)carbamothioyl]-2-phenoxyacetamide
CID 953658
N-[(2-butyltetrazol-5-yl)carbamothioyl]-4-propan-2-ylbenzamide
CID 4310789
4-methyl-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 959838
N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937376
N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17114635
N-[(4-benzamidophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 17235735
N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4950091
3-propan-2-yloxy-N-[(2-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 969050
N-[(4-anilinophenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937330

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide (CID 9184933) is N-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide is CCn1nnc(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)n1.
What is the InChIKey of N-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide?
The InChIKey is BBKCRTXPJPUHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-4-21-19-14(18-20-21)17-15(24)16-13(22)11-5-7-12(8-6-11)23-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,16,17,19,22,24).
What are the key properties of N-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide?
N-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide has a molecular weight of 348.43 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyltetrazol-5-yl)carbamothioyl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 9184933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).