(1-amino-4,5-dihydro-3H-1,3-thiazol-2-yl)-(3-methylphenyl)methanone

C11H14N2OS — CID 88765932

IUPAC(1-amino-4,5-dihydro-3H-1,3-thiazol-2-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2=S(N)CCN2)c1
InChIInChI=1S/C11H14N2OS/c1-8-3-2-4-9(7-8)10(14)11-13-5-6-15(11)12/h2-4,7,13H,5-6,12H2,1H3
InChIKeyUIMSELRUEHBXNX-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.05
Rot. Bonds2

About (1-amino-4,5-dihydro-3H-1,3-thiazol-2-yl)-(3-methylphenyl)methanone

(1-amino-4,5-dihydro-3H-1,3-thiazol-2-yl)-(3-methylphenyl)methanone (PubChem CID 88765932) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is (1-amino-4,5-dihydro-3H-1,3-thiazol-2-yl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(1-amino-4,5-dihydro-3H-1,3-thiazol-2-yl)-(3-methylphenyl)methanone
PubChem CID88765932
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name(1-amino-4,5-dihydro-3H-1,3-thiazol-2-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2=S(N)CCN2)c1
InChIInChI=1S/C11H14N2OS/c1-8-3-2-4-9(7-8)10(14)11-13-5-6-15(11)12/h2-4,7,13H,5-6,12H2,1H3
InChIKeyUIMSELRUEHBXNX-UHFFFAOYSA-N
XLogP1.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-amino-4,5-dihydro-3H-1,3-thiazol-2-yl)-(3-methylphenyl)methanone?
The IUPAC name of (1-amino-4,5-dihydro-3H-1,3-thiazol-2-yl)-(3-methylphenyl)methanone (CID 88765932) is (1-amino-4,5-dihydro-3H-1,3-thiazol-2-yl)-(3-methylphenyl)methanone.
What is the SMILES notation for (1-amino-4,5-dihydro-3H-1,3-thiazol-2-yl)-(3-methylphenyl)methanone?
The canonical SMILES for (1-amino-4,5-dihydro-3H-1,3-thiazol-2-yl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)C2=S(N)CCN2)c1.
What is the InChIKey of (1-amino-4,5-dihydro-3H-1,3-thiazol-2-yl)-(3-methylphenyl)methanone?
The InChIKey is UIMSELRUEHBXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8-3-2-4-9(7-8)10(14)11-13-5-6-15(11)12/h2-4,7,13H,5-6,12H2,1H3.
What are the key properties of (1-amino-4,5-dihydro-3H-1,3-thiazol-2-yl)-(3-methylphenyl)methanone?
(1-amino-4,5-dihydro-3H-1,3-thiazol-2-yl)-(3-methylphenyl)methanone has a molecular weight of 222.31 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-4,5-dihydro-3H-1,3-thiazol-2-yl)-(3-methylphenyl)methanone is sourced from PubChem (CID 88765932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).