5-benzyl-N-methyl-1,3-thiazol-2-amine

C11H12N2S — CID 1229694

IUPAC5-benzyl-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C11H12N2S/c1-12-11-13-8-10(14-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)
InChIKeyHWFWJQTZQIUYJT-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.78
Rot. Bonds3

About 5-benzyl-N-methyl-1,3-thiazol-2-amine

5-benzyl-N-methyl-1,3-thiazol-2-amine (PubChem CID 1229694) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 5-benzyl-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-benzyl-N-methyl-1,3-thiazol-2-amine
PubChem CID1229694
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name5-benzyl-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C11H12N2S/c1-12-11-13-8-10(14-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)
InChIKeyHWFWJQTZQIUYJT-UHFFFAOYSA-N
XLogP2.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-benzyl-N-methyl-1,3-thiazol-2-amine (CID 1229694) is 5-benzyl-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-benzyl-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-benzyl-N-methyl-1,3-thiazol-2-amine is CNc1ncc(Cc2ccccc2)s1.
What is the InChIKey of 5-benzyl-N-methyl-1,3-thiazol-2-amine?
The InChIKey is HWFWJQTZQIUYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-12-11-13-8-10(14-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13).
What are the key properties of 5-benzyl-N-methyl-1,3-thiazol-2-amine?
5-benzyl-N-methyl-1,3-thiazol-2-amine has a molecular weight of 204.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 1229694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).