[4-(2-methyl-1,3-oxazol-5-yl)phenyl]thiourea

C11H11N3OS — CID 86632608

IUPAC[4-(2-methyl-1,3-oxazol-5-yl)phenyl]thiourea
SMILESCc1ncc(-c2ccc(NC(N)=S)cc2)o1
InChIInChI=1S/C11H11N3OS/c1-7-13-6-10(15-7)8-2-4-9(5-3-8)14-11(12)16/h2-6H,1H3,(H3,12,14,16)
InChIKeyWEFVORVKRWTIPV-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.31
Rot. Bonds2

About [4-(2-methyl-1,3-oxazol-5-yl)phenyl]thiourea

[4-(2-methyl-1,3-oxazol-5-yl)phenyl]thiourea (PubChem CID 86632608) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is [4-(2-methyl-1,3-oxazol-5-yl)phenyl]thiourea.

Molecular Properties

Compound Name[4-(2-methyl-1,3-oxazol-5-yl)phenyl]thiourea
PubChem CID86632608
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name[4-(2-methyl-1,3-oxazol-5-yl)phenyl]thiourea
SMILESCc1ncc(-c2ccc(NC(N)=S)cc2)o1
InChIInChI=1S/C11H11N3OS/c1-7-13-6-10(15-7)8-2-4-9(5-3-8)14-11(12)16/h2-6H,1H3,(H3,12,14,16)
InChIKeyWEFVORVKRWTIPV-UHFFFAOYSA-N
XLogP2.31
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide
CID 166405051
2-[2-[4-(2-methyl-1,3-oxazol-5-yl)anilino]-2-oxoethyl]sulfanyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]acetamide
CID 112830792
(2S)-2-amino-3,3-dimethyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide
CID 119704480
3-amino-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride
CID 119704493
2-amino-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pentanamide
CID 119279222
2-[[4-(2-methyl-1,3-oxazol-5-yl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974723
4-(methylamino)-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride
CID 119704467
3-methyl-N,N'-bis[4-(2-methyl-1,3-oxazol-5-yl)phenyl]hexanediamide
CID 112830791
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 71898657
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 119704502
9-amino-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985154
[4-(1-methylpyrazol-4-yl)phenyl]thiourea
CID 169356710

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-1,3-oxazol-5-yl)phenyl]thiourea?
The IUPAC name of [4-(2-methyl-1,3-oxazol-5-yl)phenyl]thiourea (CID 86632608) is [4-(2-methyl-1,3-oxazol-5-yl)phenyl]thiourea.
What is the SMILES notation for [4-(2-methyl-1,3-oxazol-5-yl)phenyl]thiourea?
The canonical SMILES for [4-(2-methyl-1,3-oxazol-5-yl)phenyl]thiourea is Cc1ncc(-c2ccc(NC(N)=S)cc2)o1.
What is the InChIKey of [4-(2-methyl-1,3-oxazol-5-yl)phenyl]thiourea?
The InChIKey is WEFVORVKRWTIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-13-6-10(15-7)8-2-4-9(5-3-8)14-11(12)16/h2-6H,1H3,(H3,12,14,16).
What are the key properties of [4-(2-methyl-1,3-oxazol-5-yl)phenyl]thiourea?
[4-(2-methyl-1,3-oxazol-5-yl)phenyl]thiourea has a molecular weight of 233.30 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-1,3-oxazol-5-yl)phenyl]thiourea is sourced from PubChem (CID 86632608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).