1-(4-hydroxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea

C12H10F3N3OS2 — CID 11151749

IUPAC1-(4-hydroxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea
SMILESCc1cc(O)ccc1NC(=S)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H10F3N3OS2/c1-6-4-7(19)2-3-8(6)16-10(20)18-11-17-9(5-21-11)12(13,14)15/h2-5,19H,1H3,(H2,16,17,18,20)
InChIKeyAKPGCLPFVDUTBG-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.98
Rot. Bonds2

About 1-(4-hydroxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea

1-(4-hydroxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea (PubChem CID 11151749) has the molecular formula C12H10F3N3OS2 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea
PubChem CID11151749
Molecular FormulaC12H10F3N3OS2
Molecular Weight333.36 g/mol
Exact Mass333.02
IUPAC Name1-(4-hydroxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea
SMILESCc1cc(O)ccc1NC(=S)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H10F3N3OS2/c1-6-4-7(19)2-3-8(6)16-10(20)18-11-17-9(5-21-11)12(13,14)15/h2-5,19H,1H3,(H2,16,17,18,20)
InChIKeyAKPGCLPFVDUTBG-UHFFFAOYSA-N
XLogP3.98
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-hydroxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea?
The IUPAC name of 1-(4-hydroxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea (CID 11151749) is 1-(4-hydroxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea.
What is the SMILES notation for 1-(4-hydroxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea?
The canonical SMILES for 1-(4-hydroxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea is Cc1cc(O)ccc1NC(=S)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 1-(4-hydroxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea?
The InChIKey is AKPGCLPFVDUTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS2/c1-6-4-7(19)2-3-8(6)16-10(20)18-11-17-9(5-21-11)12(13,14)15/h2-5,19H,1H3,(H2,16,17,18,20).
What are the key properties of 1-(4-hydroxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea?
1-(4-hydroxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea has a molecular weight of 333.36 g/mol, XLogP of 3.98, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiourea is sourced from PubChem (CID 11151749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).