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

C7H10N2OS — CID 131228429

IUPAC3-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one
SMILESCNCCC(=O)c1ccns1
InChIInChI=1S/C7H10N2OS/c1-8-4-2-6(10)7-3-5-9-11-7/h3,5,8H,2,4H2,1H3
InChIKeyQAKWSBVONITROZ-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.94
Rot. Bonds4

About 3-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one

3-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one (PubChem CID 131228429) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 3-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one
PubChem CID131228429
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name3-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one
SMILESCNCCC(=O)c1ccns1
InChIInChI=1S/C7H10N2OS/c1-8-4-2-6(10)7-3-5-9-11-7/h3,5,8H,2,4H2,1H3
InChIKeyQAKWSBVONITROZ-UHFFFAOYSA-N
XLogP0.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-Thiazol-5-yl)ethan-1-one
CID 25418628
[3-Oxo-3-(1,2-thiazol-5-yl)propyl]carbamic acid
CID 69993006
2-Amino-1-(1,2-thiazol-5-yl)ethan-1-one
CID 82594400
tert-butyl N-[3-oxo-3-(1,2-thiazol-5-yl)propyl]carbamate
CID 90713548
1-(1,2-Thiazol-5-yl)propan-1-one
CID 129270183
2-Methyl-1-(1,2-thiazol-5-yl)propan-1-one
CID 130960455
tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]carbamate
CID 160806284
2-(Methylamino)-1-(1,2-thiazol-5-yl)ethan-1-one
CID 96735460
3-Amino-1-(1,2-thiazol-5-yl)propan-1-one
CID 96735461
(2S)-2-amino-1-(1,2-thiazol-5-yl)propan-1-one
CID 96735462
(2R)-2-amino-1-(1,2-thiazol-5-yl)propan-1-one
CID 96735463
2-(Azetidin-1-yl)-1-(1,2-thiazol-5-yl)ethanone
CID 130840859

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one?
The IUPAC name of 3-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one (CID 131228429) is 3-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 3-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one?
The canonical SMILES for 3-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one is CNCCC(=O)c1ccns1.
What is the InChIKey of 3-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one?
The InChIKey is QAKWSBVONITROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-8-4-2-6(10)7-3-5-9-11-7/h3,5,8H,2,4H2,1H3.
What are the key properties of 3-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one?
3-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one has a molecular weight of 170.24 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(1,2-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 131228429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).