2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one

C7H10N2OS — CID 131062606

IUPAC2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one
SMILESCNC(C)C(=O)c1ccns1
InChIInChI=1S/C7H10N2OS/c1-5(8-2)7(10)6-3-4-9-11-6/h3-5,8H,1-2H3
InChIKeyHPCQPJUKRTUBPO-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.93
Rot. Bonds3

About 2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one

2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one (PubChem CID 131062606) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one
PubChem CID131062606
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one
SMILESCNC(C)C(=O)c1ccns1
InChIInChI=1S/C7H10N2OS/c1-5(8-2)7(10)6-3-4-9-11-6/h3-5,8H,1-2H3
InChIKeyHPCQPJUKRTUBPO-UHFFFAOYSA-N
XLogP0.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one?
The IUPAC name of 2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one (CID 131062606) is 2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one?
The canonical SMILES for 2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one is CNC(C)C(=O)c1ccns1.
What is the InChIKey of 2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one?
The InChIKey is HPCQPJUKRTUBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5(8-2)7(10)6-3-4-9-11-6/h3-5,8H,1-2H3.
What are the key properties of 2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one?
2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one has a molecular weight of 170.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 131062606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).