3-[1-(1,3-thiazol-4-yl)ethylamino]butanamide

C9H15N3OS — CID 115879478

IUPAC3-[1-(1,3-thiazol-4-yl)ethylamino]butanamide
SMILESCC(CC(N)=O)NC(C)c1cscn1
InChIInChI=1S/C9H15N3OS/c1-6(3-9(10)13)12-7(2)8-4-14-5-11-8/h4-7,12H,3H2,1-2H3,(H2,10,13)
InChIKeyQXAZRQIXNAEPJU-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.06
Rot. Bonds5

About 3-[1-(1,3-thiazol-4-yl)ethylamino]butanamide

3-[1-(1,3-thiazol-4-yl)ethylamino]butanamide (PubChem CID 115879478) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-[1-(1,3-thiazol-4-yl)ethylamino]butanamide.

Molecular Properties

Compound Name3-[1-(1,3-thiazol-4-yl)ethylamino]butanamide
PubChem CID115879478
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name3-[1-(1,3-thiazol-4-yl)ethylamino]butanamide
SMILESCC(CC(N)=O)NC(C)c1cscn1
InChIInChI=1S/C9H15N3OS/c1-6(3-9(10)13)12-7(2)8-4-14-5-11-8/h4-7,12H,3H2,1-2H3,(H2,10,13)
InChIKeyQXAZRQIXNAEPJU-UHFFFAOYSA-N
XLogP1.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[1-(1,3-thiazol-4-yl)ethylamino]propanoate
CID 104865936
3-(1-pyridin-2-ylethylamino)butanamide
CID 115572776
N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 46784250
tert-butyl N-[2-[1-(1,3-thiazol-4-yl)ethylamino]propyl]carbamate
CID 107248411
3-[1-(1,3-thiazol-4-yl)ethylamino]-3-thiophen-2-ylpropanoic acid
CID 113486874
N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 46784246
3-[1-(1,3-thiazol-4-yl)ethylamino]benzamide
CID 115928538
4,4-dimethyl-3-[1-(1,3-thiazol-4-yl)ethylamino]pentan-1-ol
CID 104925969
N-benzhydryl-1-(1,3-thiazol-4-yl)ethanamine
CID 115878793
N-methyl-2-[2-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
CID 115928894
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879238
ethyl (3R)-3-amino-3-(1,3-thiazol-4-yl)propanoate
CID 104862982

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-thiazol-4-yl)ethylamino]butanamide?
The IUPAC name of 3-[1-(1,3-thiazol-4-yl)ethylamino]butanamide (CID 115879478) is 3-[1-(1,3-thiazol-4-yl)ethylamino]butanamide.
What is the SMILES notation for 3-[1-(1,3-thiazol-4-yl)ethylamino]butanamide?
The canonical SMILES for 3-[1-(1,3-thiazol-4-yl)ethylamino]butanamide is CC(CC(N)=O)NC(C)c1cscn1.
What is the InChIKey of 3-[1-(1,3-thiazol-4-yl)ethylamino]butanamide?
The InChIKey is QXAZRQIXNAEPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6(3-9(10)13)12-7(2)8-4-14-5-11-8/h4-7,12H,3H2,1-2H3,(H2,10,13).
What are the key properties of 3-[1-(1,3-thiazol-4-yl)ethylamino]butanamide?
3-[1-(1,3-thiazol-4-yl)ethylamino]butanamide has a molecular weight of 213.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-thiazol-4-yl)ethylamino]butanamide is sourced from PubChem (CID 115879478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).