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

C9H14N2OS — CID 116562631

IUPAC1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
SMILESCCNCC(=O)Cc1csc(C)n1
InChIInChI=1S/C9H14N2OS/c1-3-10-5-9(12)4-8-6-13-7(2)11-8/h6,10H,3-5H2,1-2H3
InChIKeyWHPQSYYHCHIGIH-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.17
Rot. Bonds5

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

1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one (PubChem CID 116562631) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
PubChem CID116562631
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
SMILESCCNCC(=O)Cc1csc(C)n1
InChIInChI=1S/C9H14N2OS/c1-3-10-5-9(12)4-8-6-13-7(2)11-8/h6,10H,3-5H2,1-2H3
InChIKeyWHPQSYYHCHIGIH-UHFFFAOYSA-N
XLogP1.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 62799842
1-(2-methyl-1,3-thiazol-4-yl)-3-(propan-2-ylamino)propan-2-one
CID 116554956
4-methylidene-1-(2-methyl-1,3-thiazol-4-yl)hexan-2-one
CID 66044328
1-anilino-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 116555431
4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 116550795
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
N-methoxy-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60716850
1-ethyl-3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]thiourea
CID 8746565
1-(2-methyl-1,3-thiazol-4-yl)-3-thiophen-3-ylpropan-2-one
CID 62800195
ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate
CID 60812256
1,1-diethoxy-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 79495928

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one?
The IUPAC name of 1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one (CID 116562631) is 1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one?
The canonical SMILES for 1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one is CCNCC(=O)Cc1csc(C)n1.
What is the InChIKey of 1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one?
The InChIKey is WHPQSYYHCHIGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-3-10-5-9(12)4-8-6-13-7(2)11-8/h6,10H,3-5H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one?
1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one has a molecular weight of 198.29 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one is sourced from PubChem (CID 116562631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).