[2-(tetrazol-1-yl)phenyl]thiourea

C8H8N6S — CID 169356429

IUPAC[2-(tetrazol-1-yl)phenyl]thiourea
SMILESNC(=S)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C8H8N6S/c9-8(15)11-6-3-1-2-4-7(6)14-5-10-12-13-14/h1-5H,(H3,9,11,15)
InChIKeyIBPPFEAFJRWSJE-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.32
Rot. Bonds2

About [2-(tetrazol-1-yl)phenyl]thiourea

[2-(tetrazol-1-yl)phenyl]thiourea (PubChem CID 169356429) has the molecular formula C8H8N6S and a molecular weight of 220.26 g/mol. Its IUPAC name is [2-(tetrazol-1-yl)phenyl]thiourea.

Molecular Properties

Compound Name[2-(tetrazol-1-yl)phenyl]thiourea
PubChem CID169356429
Molecular FormulaC8H8N6S
Molecular Weight220.26 g/mol
Exact Mass220.05
IUPAC Name[2-(tetrazol-1-yl)phenyl]thiourea
SMILESNC(=S)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C8H8N6S/c9-8(15)11-6-3-1-2-4-7(6)14-5-10-12-13-14/h1-5H,(H3,9,11,15)
InChIKeyIBPPFEAFJRWSJE-UHFFFAOYSA-N
XLogP0.32
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 54995832
2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 43698693
3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 115426234
(2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 61180779
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 79789723
2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 43706192
5-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 82011021
2-(2-methoxyethylamino)-N-[2-(tetrazol-1-yl)phenyl]acetamide
CID 79282051
3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 55110809
3,3-dicyclopropyl-N-[2-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 75416132
(2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide
CID 107144063
5-chloro-N-[2-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide
CID 107371883

Frequently Asked Questions

What is the IUPAC name of [2-(tetrazol-1-yl)phenyl]thiourea?
The IUPAC name of [2-(tetrazol-1-yl)phenyl]thiourea (CID 169356429) is [2-(tetrazol-1-yl)phenyl]thiourea.
What is the SMILES notation for [2-(tetrazol-1-yl)phenyl]thiourea?
The canonical SMILES for [2-(tetrazol-1-yl)phenyl]thiourea is NC(=S)Nc1ccccc1-n1cnnn1.
What is the InChIKey of [2-(tetrazol-1-yl)phenyl]thiourea?
The InChIKey is IBPPFEAFJRWSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6S/c9-8(15)11-6-3-1-2-4-7(6)14-5-10-12-13-14/h1-5H,(H3,9,11,15).
What are the key properties of [2-(tetrazol-1-yl)phenyl]thiourea?
[2-(tetrazol-1-yl)phenyl]thiourea has a molecular weight of 220.26 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tetrazol-1-yl)phenyl]thiourea is sourced from PubChem (CID 169356429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).