2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one

C8H12N2OS — CID 89257366

IUPAC2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one
SMILESCNc1nc(C(=O)C(C)C)cs1
InChIInChI=1S/C8H12N2OS/c1-5(2)7(11)6-4-12-8(9-3)10-6/h4-5H,1-3H3,(H,9,10)
InChIKeyMVGZZJVFGPPHMA-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.02
Rot. Bonds3

About 2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one

2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one (PubChem CID 89257366) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one
PubChem CID89257366
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one
SMILESCNc1nc(C(=O)C(C)C)cs1
InChIInChI=1S/C8H12N2OS/c1-5(2)7(11)6-4-12-8(9-3)10-6/h4-5H,1-3H3,(H,9,10)
InChIKeyMVGZZJVFGPPHMA-UHFFFAOYSA-N
XLogP2.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 130708869
(2-methoxyphenyl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 82131144
N-ethoxy-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 131203421
(5-chlorothiophen-2-yl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 82132569
[2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82509879
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 97328744
2-(methylamino)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 122563881
1-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-2-methylpropan-1-one
CID 58782173
2-(3-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 86670251
[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 72938942
2-(methylamino)-N-prop-2-ynoxy-1,3-thiazole-4-carboxamide
CID 130927332
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 110004592

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one (CID 89257366) is 2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one is CNc1nc(C(=O)C(C)C)cs1.
What is the InChIKey of 2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one?
The InChIKey is MVGZZJVFGPPHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-5(2)7(11)6-4-12-8(9-3)10-6/h4-5H,1-3H3,(H,9,10).
What are the key properties of 2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one?
2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one has a molecular weight of 184.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(methylamino)-1,3-thiazol-4-yl]propan-1-one is sourced from PubChem (CID 89257366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).