4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine

C11H12N2S — CID 971435

IUPAC4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ccccc2)sc1C
InChIInChI=1S/C11H12N2S/c1-8-9(2)14-11(12-8)13-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,13)
InChIKeyVEUBKVMWGDELMW-UHFFFAOYSA-N
MW204.30 g/mol
LogP3.50
Rot. Bonds2

About 4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine

4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine (PubChem CID 971435) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine
PubChem CID971435
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ccccc2)sc1C
InChIInChI=1S/C11H12N2S/c1-8-9(2)14-11(12-8)13-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,13)
InChIKeyVEUBKVMWGDELMW-UHFFFAOYSA-N
XLogP3.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine (CID 971435) is 4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine is Cc1nc(Nc2ccccc2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is VEUBKVMWGDELMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-8-9(2)14-11(12-8)13-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,13).
What are the key properties of 4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine?
4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 204.30 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 971435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).