N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide

C16H19N3O2S — CID 87026123

IUPACN-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)Cc2csc(C)n2)c1
InChIInChI=1S/C16H19N3O2S/c1-3-5-15(20)18-12-6-4-7-13(8-12)19-16(21)9-14-10-22-11(2)17-14/h4,6-8,10H,3,5,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyMWEFXIPBHBYQQP-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.37
Rot. Bonds6

About N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide

N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide (PubChem CID 87026123) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
PubChem CID87026123
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)Cc2csc(C)n2)c1
InChIInChI=1S/C16H19N3O2S/c1-3-5-15(20)18-12-6-4-7-13(8-12)19-16(21)9-14-10-22-11(2)17-14/h4,6-8,10H,3,5,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyMWEFXIPBHBYQQP-UHFFFAOYSA-N
XLogP3.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide
CID 19242160
methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 9123441
N-(3-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 34236869
N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026182
2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38205069
N-(3-acetamidophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 16909116
N-(2-methyl-4-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463240
N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71853136
N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110483632
2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 131937813
2-[3-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]phenyl]acetic acid
CID 119351570
N-[3-[[[N,N'-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamimidoyl]amino]methyl]phenyl]butanamide;hydroiodide
CID 109422305

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide (CID 87026123) is N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide is CCCC(=O)Nc1cccc(NC(=O)Cc2csc(C)n2)c1.
What is the InChIKey of N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide?
The InChIKey is MWEFXIPBHBYQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-3-5-15(20)18-12-6-4-7-13(8-12)19-16(21)9-14-10-22-11(2)17-14/h4,6-8,10H,3,5,9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide?
N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide has a molecular weight of 317.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 87026123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).