[2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone

C11H10N2OS — CID 1485902

IUPAC[2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCNc1ncc(C(=O)c2ccccc2)s1
InChIInChI=1S/C11H10N2OS/c1-12-11-13-7-9(15-11)10(14)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)
InChIKeyACIORWSBZIKYKH-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.42
Rot. Bonds3

About [2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone

[2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone (PubChem CID 1485902) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is [2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone
PubChem CID1485902
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name[2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone
SMILESCNc1ncc(C(=O)c2ccccc2)s1
InChIInChI=1S/C11H10N2OS/c1-12-11-13-7-9(15-11)10(14)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)
InChIKeyACIORWSBZIKYKH-UHFFFAOYSA-N
XLogP2.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The IUPAC name of [2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone (CID 1485902) is [2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone is CNc1ncc(C(=O)c2ccccc2)s1.
What is the InChIKey of [2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone?
The InChIKey is ACIORWSBZIKYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-12-11-13-7-9(15-11)10(14)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13).
What are the key properties of [2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone?
[2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone has a molecular weight of 218.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone is sourced from PubChem (CID 1485902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).