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

C11H11N3S2 — CID 169357373

IUPAC[2-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
SMILESCc1nc(-c2ccccc2NC(N)=S)cs1
InChIInChI=1S/C11H11N3S2/c1-7-13-10(6-16-7)8-4-2-3-5-9(8)14-11(12)15/h2-6H,1H3,(H3,12,14,15)
InChIKeyODSJIAGXRKLTOE-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.77
Rot. Bonds2

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

[2-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea (PubChem CID 169357373) has the molecular formula C11H11N3S2 and a molecular weight of 249.36 g/mol. Its IUPAC name is [2-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea.

Molecular Properties

Compound Name[2-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
PubChem CID169357373
Molecular FormulaC11H11N3S2
Molecular Weight249.36 g/mol
Exact Mass249.04
IUPAC Name[2-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
SMILESCc1nc(-c2ccccc2NC(N)=S)cs1
InChIInChI=1S/C11H11N3S2/c1-7-13-10(6-16-7)8-4-2-3-5-9(8)14-11(12)15/h2-6H,1H3,(H3,12,14,15)
InChIKeyODSJIAGXRKLTOE-UHFFFAOYSA-N
XLogP2.77
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.77
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-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 90626039
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide
CID 90626222
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 90626104
1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea
CID 90626941
6-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridazine-3-carboxamide
CID 90626314
3,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626060
dimethyl (E)-2-[2-(2-methyl-1,3-thiazol-4-yl)anilino]but-2-enedioate
CID 168569919
1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 90626921
3,4-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626115
2-(2-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 90626191
2,5-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626071
[2-(2-methylphenyl)phenyl]thiourea
CID 15175535

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea?
The IUPAC name of [2-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea (CID 169357373) is [2-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea.
What is the SMILES notation for [2-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea?
The canonical SMILES for [2-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea is Cc1nc(-c2ccccc2NC(N)=S)cs1.
What is the InChIKey of [2-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea?
The InChIKey is ODSJIAGXRKLTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S2/c1-7-13-10(6-16-7)8-4-2-3-5-9(8)14-11(12)15/h2-6H,1H3,(H3,12,14,15).
What are the key properties of [2-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea?
[2-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea has a molecular weight of 249.36 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea is sourced from PubChem (CID 169357373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).