4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one

C8H12N2OS — CID 116550795

IUPAC4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
SMILESCc1nc(CC(=O)CCN)cs1
InChIInChI=1S/C8H12N2OS/c1-6-10-7(5-12-6)4-8(11)2-3-9/h5H,2-4,9H2,1H3
InChIKeyXHXBOCVPOOSYOV-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.91
Rot. Bonds4

About 4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one

4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one (PubChem CID 116550795) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one.

Molecular Properties

Compound Name4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
PubChem CID116550795
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
SMILESCc1nc(CC(=O)CCN)cs1
InChIInChI=1S/C8H12N2OS/c1-6-10-7(5-12-6)4-8(11)2-3-9/h5H,2-4,9H2,1H3
InChIKeyXHXBOCVPOOSYOV-UHFFFAOYSA-N
XLogP0.91
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.91
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-(2-methyl-1,3-thiazol-4-yl)tetradecan-2-one
CID 63409908
5-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)pentan-2-one
CID 116555704
4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
CID 66044328
1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 116562631
1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one
CID 116554956
1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 116555431
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
1-(2,5-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 65317065
1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one
CID 62800195
1-(1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 79818598
1-[4-(aminomethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116603189

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one?
The IUPAC name of 4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one (CID 116550795) is 4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one.
What is the SMILES notation for 4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one?
The canonical SMILES for 4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one is Cc1nc(CC(=O)CCN)cs1.
What is the InChIKey of 4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one?
The InChIKey is XHXBOCVPOOSYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6-10-7(5-12-6)4-8(11)2-3-9/h5H,2-4,9H2,1H3.
What are the key properties of 4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one?
4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one has a molecular weight of 184.26 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one is sourced from PubChem (CID 116550795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).