N-[4-[[N-(1-hydroxybutan-2-yl)anilino]methyl]-1,3-thiazol-2-yl]acetamide

C16H21N3O2S — CID 111825584

IUPACN-[4-[[N-(1-hydroxybutan-2-yl)anilino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCC(CO)N(Cc1csc(NC(C)=O)n1)c1ccccc1
InChIInChI=1S/C16H21N3O2S/c1-3-14(10-20)19(15-7-5-4-6-8-15)9-13-11-22-16(18-13)17-12(2)21/h4-8,11,14,20H,3,9-10H2,1-2H3,(H,17,18,21)
InChIKeyFQTXALTXKKVFFV-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.88
Rot. Bonds7

About N-[4-[[N-(1-hydroxybutan-2-yl)anilino]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[[N-(1-hydroxybutan-2-yl)anilino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 111825584) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[4-[[N-(1-hydroxybutan-2-yl)anilino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[N-(1-hydroxybutan-2-yl)anilino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID111825584
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[4-[[N-(1-hydroxybutan-2-yl)anilino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCC(CO)N(Cc1csc(NC(C)=O)n1)c1ccccc1
InChIInChI=1S/C16H21N3O2S/c1-3-14(10-20)19(15-7-5-4-6-8-15)9-13-11-22-16(18-13)17-12(2)21/h4-8,11,14,20H,3,9-10H2,1-2H3,(H,17,18,21)
InChIKeyFQTXALTXKKVFFV-UHFFFAOYSA-N
XLogP2.88
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[N-(1-hydroxybutan-2-yl)anilino]methyl]-1,3-thiazol-2-yl]acetamide 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

7-[(N-[(2S)-1-hydroxybutan-2-yl]anilino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 96566986
3-[(2-acetamido-1,3-thiazol-4-yl)methyl-ethylamino]butanoic acid
CID 62826038
N-[4-[(N-ethyl-4-fluoroanilino)methyl]-1,3-thiazol-2-yl]acetamide
CID 78825720
N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 34115692
2-[(2-acetamido-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 43466795
N-[4-(2-thiophen-2-ylethyl)-1,3-thiazol-2-yl]acetamide
CID 154216694
N-[4-[[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 111489947
N-[4-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 134001362
2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 103772744
N-[4-[[benzyl(butyl)amino]methyl]-1,3-thiazol-2-yl]benzamide
CID 46893028
2-[2-(2-methylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
CID 16791992
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 47263059

Frequently Asked Questions

What is the IUPAC name of N-[4-[[N-(1-hydroxybutan-2-yl)anilino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[N-(1-hydroxybutan-2-yl)anilino]methyl]-1,3-thiazol-2-yl]acetamide (CID 111825584) is N-[4-[[N-(1-hydroxybutan-2-yl)anilino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[N-(1-hydroxybutan-2-yl)anilino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[N-(1-hydroxybutan-2-yl)anilino]methyl]-1,3-thiazol-2-yl]acetamide is CCC(CO)N(Cc1csc(NC(C)=O)n1)c1ccccc1.
What is the InChIKey of N-[4-[[N-(1-hydroxybutan-2-yl)anilino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FQTXALTXKKVFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-14(10-20)19(15-7-5-4-6-8-15)9-13-11-22-16(18-13)17-12(2)21/h4-8,11,14,20H,3,9-10H2,1-2H3,(H,17,18,21).
What are the key properties of N-[4-[[N-(1-hydroxybutan-2-yl)anilino]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[N-(1-hydroxybutan-2-yl)anilino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[N-(1-hydroxybutan-2-yl)anilino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 111825584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).