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

C11H21Cl2N3O2S — CID 119900150

IUPAC3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride
SMILESCOC(C)c1nc(CNC(=O)CC(C)N)cs1.Cl.Cl
InChIInChI=1S/C11H19N3O2S.2ClH/c1-7(12)4-10(15)13-5-9-6-17-11(14-9)8(2)16-3;;/h6-8H,4-5,12H2,1-3H3,(H,13,15);2*1H
InChIKeySIBMZUHRAHTPQP-UHFFFAOYSA-N
MW330.28 g/mol
LogP2.05
Rot. Bonds6

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

3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride (PubChem CID 119900150) has the molecular formula C11H21Cl2N3O2S and a molecular weight of 330.28 g/mol. Its IUPAC name is 3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride
PubChem CID119900150
Molecular FormulaC11H21Cl2N3O2S
Molecular Weight330.28 g/mol
Exact Mass329.07
IUPAC Name3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride
SMILESCOC(C)c1nc(CNC(=O)CC(C)N)cs1.Cl.Cl
InChIInChI=1S/C11H19N3O2S.2ClH/c1-7(12)4-10(15)13-5-9-6-17-11(14-9)8(2)16-3;;/h6-8H,4-5,12H2,1-3H3,(H,13,15);2*1H
InChIKeySIBMZUHRAHTPQP-UHFFFAOYSA-N
XLogP2.05
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119900108
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119900144
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-4-(methylamino)butanamide
CID 119900109
2-(aminomethyl)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119900142
2-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide;dihydrochloride
CID 119900104
3-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butanamide;dihydrochloride
CID 119839268
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119900153
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119900159
4-amino-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
CID 120588959
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 166403785

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride (CID 119900150) is 3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride is COC(C)c1nc(CNC(=O)CC(C)N)cs1.Cl.Cl.
What is the InChIKey of 3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride?
The InChIKey is SIBMZUHRAHTPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S.2ClH/c1-7(12)4-10(15)13-5-9-6-17-11(14-9)8(2)16-3;;/h6-8H,4-5,12H2,1-3H3,(H,13,15);2*1H.
What are the key properties of 3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride?
3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride has a molecular weight of 330.28 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride is sourced from PubChem (CID 119900150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).