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

C12H23Cl2N3O2S — CID 120596918

IUPAC4-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride
SMILESCCc1nc(C(C)NC(=O)CC(CN)OC)cs1.Cl.Cl
InChIInChI=1S/C12H21N3O2S.2ClH/c1-4-12-15-10(7-18-12)8(2)14-11(16)5-9(6-13)17-3;;/h7-9H,4-6,13H2,1-3H3,(H,14,16);2*1H
InChIKeyLCGXGOTYWFLRPC-UHFFFAOYSA-N
MW344.31 g/mol
LogP2.09
Rot. Bonds7

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

4-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride (PubChem CID 120596918) has the molecular formula C12H23Cl2N3O2S and a molecular weight of 344.31 g/mol. Its IUPAC name is 4-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride
PubChem CID120596918
Molecular FormulaC12H23Cl2N3O2S
Molecular Weight344.31 g/mol
Exact Mass343.09
IUPAC Name4-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride
SMILESCCc1nc(C(C)NC(=O)CC(CN)OC)cs1.Cl.Cl
InChIInChI=1S/C12H21N3O2S.2ClH/c1-4-12-15-10(7-18-12)8(2)14-11(16)5-9(6-13)17-3;;/h7-9H,4-6,13H2,1-3H3,(H,14,16);2*1H
InChIKeyLCGXGOTYWFLRPC-UHFFFAOYSA-N
XLogP2.09
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119886493
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119886487
4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587047
4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide
CID 103156393
1-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119886464
4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide
CID 103156389
2-cyclopentyl-N-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 95620387
2-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119886452
4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
CID 120592709
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutan-2-amine
CID 115718767
4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120590463
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111117313

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride (CID 120596918) is 4-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride is CCc1nc(C(C)NC(=O)CC(CN)OC)cs1.Cl.Cl.
What is the InChIKey of 4-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride?
The InChIKey is LCGXGOTYWFLRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S.2ClH/c1-4-12-15-10(7-18-12)8(2)14-11(16)5-9(6-13)17-3;;/h7-9H,4-6,13H2,1-3H3,(H,14,16);2*1H.
What are the key properties of 4-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride?
4-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride has a molecular weight of 344.31 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride is sourced from PubChem (CID 120596918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).