4-amino-3-methoxy-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;dihydrochloride

C18H27Cl2N3O2S — CID 120597190

IUPAC4-amino-3-methoxy-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)N(C)C(C)c1sc(-c2ccccc2)nc1C.Cl.Cl
InChIInChI=1S/C18H25N3O2S.2ClH/c1-12-17(24-18(20-12)14-8-6-5-7-9-14)13(2)21(3)16(22)10-15(11-19)23-4;;/h5-9,13,15H,10-11,19H2,1-4H3;2*1H
InChIKeyQKPAFRMISSCZLY-UHFFFAOYSA-N
MW420.41 g/mol
LogP3.85
Rot. Bonds7

About 4-amino-3-methoxy-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;dihydrochloride

4-amino-3-methoxy-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;dihydrochloride (PubChem CID 120597190) has the molecular formula C18H27Cl2N3O2S and a molecular weight of 420.41 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;dihydrochloride
PubChem CID120597190
Molecular FormulaC18H27Cl2N3O2S
Molecular Weight420.41 g/mol
Exact Mass419.12
IUPAC Name4-amino-3-methoxy-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)N(C)C(C)c1sc(-c2ccccc2)nc1C.Cl.Cl
InChIInChI=1S/C18H25N3O2S.2ClH/c1-12-17(24-18(20-12)14-8-6-5-7-9-14)13(2)21(3)16(22)10-15(11-19)23-4;;/h5-9,13,15H,10-11,19H2,1-4H3;2*1H
InChIKeyQKPAFRMISSCZLY-UHFFFAOYSA-N
XLogP3.85
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 119893005
4-amino-N-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methoxy-N-methylbutanamide;dihydrochloride
CID 120594823
4-amino-3-methoxy-N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride
CID 120591992
2-(aminomethyl)-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 119892993
4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide
CID 120593275
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine
CID 116887194
4-[[methyl-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]carbamoyl]amino]butanoic acid
CID 122023171
3-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 60568920
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 56782372
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide
CID 119881810
4-amino-3-methoxy-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 120588197
(2R)-2-[[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amino]butanamide
CID 95624526

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;dihydrochloride (CID 120597190) is 4-amino-3-methoxy-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;dihydrochloride is COC(CN)CC(=O)N(C)C(C)c1sc(-c2ccccc2)nc1C.Cl.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;dihydrochloride?
The InChIKey is QKPAFRMISSCZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S.2ClH/c1-12-17(24-18(20-12)14-8-6-5-7-9-14)13(2)21(3)16(22)10-15(11-19)23-4;;/h5-9,13,15H,10-11,19H2,1-4H3;2*1H.
What are the key properties of 4-amino-3-methoxy-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;dihydrochloride?
4-amino-3-methoxy-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;dihydrochloride has a molecular weight of 420.41 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;dihydrochloride is sourced from PubChem (CID 120597190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).