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

C9H14N2OS — CID 1485904

IUPAC2,2-dimethyl-1-[2-(methylamino)-1,3-thiazol-5-yl]propan-1-one
SMILESCNc1ncc(C(=O)C(C)(C)C)s1
InChIInChI=1S/C9H14N2OS/c1-9(2,3)7(12)6-5-11-8(10-4)13-6/h5H,1-4H3,(H,10,11)
InChIKeySTSIKNWGXHKMRF-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.41
Rot. Bonds2

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

2,2-dimethyl-1-[2-(methylamino)-1,3-thiazol-5-yl]propan-1-one (PubChem CID 1485904) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(methylamino)-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(methylamino)-1,3-thiazol-5-yl]propan-1-one
PubChem CID1485904
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2,2-dimethyl-1-[2-(methylamino)-1,3-thiazol-5-yl]propan-1-one
SMILESCNc1ncc(C(=O)C(C)(C)C)s1
InChIInChI=1S/C9H14N2OS/c1-9(2,3)7(12)6-5-11-8(10-4)13-6/h5H,1-4H3,(H,10,11)
InChIKeySTSIKNWGXHKMRF-UHFFFAOYSA-N
XLogP2.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(Dimethylamino)-1,3-thiazol-5-yl]ethanone
CID 822439
1-(2-Amino-1,3-thiazol-5-yl)ethan-1-one
CID 13130946
1-[4-Amino-2-(methylamino)-1,3-thiazol-5-yl]-2,2-dimethyl-1-propanone
CID 973710
1-(2-Amino-1,3-thiazol-5-yl)ethan-1-one hydrochloride
CID 54594116
N-[5-(2-methylbutan-2-yl)-1,3-thiazol-2-yl]acetamide
CID 2305534
1-(2-(Methylamino)thiazol-5-yl)ethanone
CID 1485905
3-Amino-2,2-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 106784773
(2E)-3-(dimethylamino)-1-[2-(methylamino)-1,3-thiazol-5-yl]prop-2-en-1-one
CID 1471412
1-(2-Aminothiazol-5-yl)ethanone hydrobromide
CID 13130947
2,2-Dimethyl-1-(1,3-thiazol-5-yl)propan-1-one
CID 18925370
1-Propanone, 1-(2-amino-5-thiazolyl)-
CID 19012165
1-(2-Piperazin-1-yl-thiazol-5-yl)-propan-1-one hydrochloride
CID 21100170

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(methylamino)-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-(methylamino)-1,3-thiazol-5-yl]propan-1-one (CID 1485904) is 2,2-dimethyl-1-[2-(methylamino)-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-(methylamino)-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-(methylamino)-1,3-thiazol-5-yl]propan-1-one is CNc1ncc(C(=O)C(C)(C)C)s1.
What is the InChIKey of 2,2-dimethyl-1-[2-(methylamino)-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is STSIKNWGXHKMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-9(2,3)7(12)6-5-11-8(10-4)13-6/h5H,1-4H3,(H,10,11).
What are the key properties of 2,2-dimethyl-1-[2-(methylamino)-1,3-thiazol-5-yl]propan-1-one?
2,2-dimethyl-1-[2-(methylamino)-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 198.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(methylamino)-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 1485904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).