1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one

C10H16N2OS — CID 116554956

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one
SMILESCc1nc(CC(=O)CNC(C)C)cs1
InChIInChI=1S/C10H16N2OS/c1-7(2)11-5-10(13)4-9-6-14-8(3)12-9/h6-7,11H,4-5H2,1-3H3
InChIKeyIKWWVAMCAMYCKT-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.56
Rot. Bonds5

About 1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one

1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one (PubChem CID 116554956) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one
PubChem CID116554956
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one
SMILESCc1nc(CC(=O)CNC(C)C)cs1
InChIInChI=1S/C10H16N2OS/c1-7(2)11-5-10(13)4-9-6-14-8(3)12-9/h6-7,11H,4-5H2,1-3H3
InChIKeyIKWWVAMCAMYCKT-UHFFFAOYSA-N
XLogP1.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842
1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 116562631
1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 116555431
4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
CID 66044328
4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 116550795
(2S)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 51052302
5-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one
CID 116555704
1-(2-methyl-1,3-thiazol-4-yl)tetradecan-2-one
CID 63409908
3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]butanoic acid
CID 106036222
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one
CID 62800195
(2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid
CID 28819853

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one (CID 116554956) is 1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one is Cc1nc(CC(=O)CNC(C)C)cs1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one?
The InChIKey is IKWWVAMCAMYCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7(2)11-5-10(13)4-9-6-14-8(3)12-9/h6-7,11H,4-5H2,1-3H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one?
1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one has a molecular weight of 212.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one is sourced from PubChem (CID 116554956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).