[4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea

C9H8N4OS — CID 169355998

IUPAC[4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea
SMILESNC(=S)Nc1ccc(-c2nnco2)cc1
InChIInChI=1S/C9H8N4OS/c10-9(15)12-7-3-1-6(2-4-7)8-13-11-5-14-8/h1-5H,(H3,10,12,15)
InChIKeyKSJJOWBVOOIDAD-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.39
Rot. Bonds2

About [4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea

[4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea (PubChem CID 169355998) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is [4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea.

Molecular Properties

Compound Name[4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea
PubChem CID169355998
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC Name[4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea
SMILESNC(=S)Nc1ccc(-c2nnco2)cc1
InChIInChI=1S/C9H8N4OS/c10-9(15)12-7-3-1-6(2-4-7)8-13-11-5-14-8/h1-5H,(H3,10,12,15)
InChIKeyKSJJOWBVOOIDAD-UHFFFAOYSA-N
XLogP1.39
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-2-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 114328432
N-(4-chlorophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9073204
2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940960
6-chloro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridazine-3-carboxamide
CID 61249051
4-(1,3,4-oxadiazol-2-yl)benzamide
CID 43236825
2-[2-[4-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 61329014
5-bromo-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-2-carboxamide
CID 62953575
N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 61275565
2-(cyclopropylmethylamino)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 61274985
[4-(1,3,4-oxadiazol-2-yl)phenyl]boronic acid
CID 10219751
[4-(1,3,4-oxadiazol-2-yl)phenyl]methanamine
CID 39869198
2-[4-(1,3,4-oxadiazol-2-yl)anilino]propanoic acid
CID 66172483

Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea?
The IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea (CID 169355998) is [4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea.
What is the SMILES notation for [4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea?
The canonical SMILES for [4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea is NC(=S)Nc1ccc(-c2nnco2)cc1.
What is the InChIKey of [4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea?
The InChIKey is KSJJOWBVOOIDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS/c10-9(15)12-7-3-1-6(2-4-7)8-13-11-5-14-8/h1-5H,(H3,10,12,15).
What are the key properties of [4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea?
[4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea has a molecular weight of 220.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea is sourced from PubChem (CID 169355998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).