3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride

C11H21Cl2N3OS — CID 119886493

IUPAC3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
SMILESCCc1nc(C(C)NC(=O)CC(C)N)cs1.Cl.Cl
InChIInChI=1S/C11H19N3OS.2ClH/c1-4-11-14-9(6-16-11)8(3)13-10(15)5-7(2)12;;/h6-8H,4-5,12H2,1-3H3,(H,13,15);2*1H
InChIKeyTWJGIDRGLGBPHX-UHFFFAOYSA-N
MW314.28 g/mol
LogP2.46
Rot. Bonds5

About 3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride

3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride (PubChem CID 119886493) has the molecular formula C11H21Cl2N3OS and a molecular weight of 314.28 g/mol. Its IUPAC name is 3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
PubChem CID119886493
Molecular FormulaC11H21Cl2N3OS
Molecular Weight314.28 g/mol
Exact Mass313.08
IUPAC Name3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
SMILESCCc1nc(C(C)NC(=O)CC(C)N)cs1.Cl.Cl
InChIInChI=1S/C11H19N3OS.2ClH/c1-4-11-14-9(6-16-11)8(3)13-10(15)5-7(2)12;;/h6-8H,4-5,12H2,1-3H3,(H,13,15);2*1H
InChIKeyTWJGIDRGLGBPHX-UHFFFAOYSA-N
XLogP2.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride
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N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119886487
1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119886464
2-cyclopentyl-N-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 95620387
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 111455461
2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119886452
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111117313
5-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylbenzamide;dihydrochloride
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1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438791
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 119886508
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942195
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1-hydroxycycloheptyl)methyl]urea
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride (CID 119886493) is 3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride is CCc1nc(C(C)NC(=O)CC(C)N)cs1.Cl.Cl.
What is the InChIKey of 3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride?
The InChIKey is TWJGIDRGLGBPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS.2ClH/c1-4-11-14-9(6-16-11)8(3)13-10(15)5-7(2)12;;/h6-8H,4-5,12H2,1-3H3,(H,13,15);2*1H.
What are the key properties of 3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride?
3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride has a molecular weight of 314.28 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride is sourced from PubChem (CID 119886493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).