2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride

C17H25Cl2N3OS — CID 119893382

IUPAC2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NCCc1nc(-c2ccccc2)c(C)s1.Cl.Cl
InChIInChI=1S/C17H23N3OS.2ClH/c1-12(11-18-3)17(21)19-10-9-15-20-16(13(2)22-15)14-7-5-4-6-8-14;;/h4-8,12,18H,9-11H2,1-3H3,(H,19,21);2*1H
InChIKeyDCDBUTRVXRPJGJ-UHFFFAOYSA-N
MW390.38 g/mol
LogP3.48
Rot. Bonds7

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

2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride (PubChem CID 119893382) has the molecular formula C17H25Cl2N3OS and a molecular weight of 390.38 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
PubChem CID119893382
Molecular FormulaC17H25Cl2N3OS
Molecular Weight390.38 g/mol
Exact Mass389.11
IUPAC Name2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NCCc1nc(-c2ccccc2)c(C)s1.Cl.Cl
InChIInChI=1S/C17H23N3OS.2ClH/c1-12(11-18-3)17(21)19-10-9-15-20-16(13(2)22-15)14-7-5-4-6-8-14;;/h4-8,12,18H,9-11H2,1-3H3,(H,19,21);2*1H
InChIKeyDCDBUTRVXRPJGJ-UHFFFAOYSA-N
XLogP3.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
5-methyl-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide
CID 44774897
2-hydroxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 110014751
2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride
CID 119681505
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119893380
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119681461
2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119860322
3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82102677
N-(1,3-benzothiazol-2-ylmethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119686710
(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl-triphenylphosphanium
CID 19965661
N-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 82102767
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119687194

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride (CID 119893382) is 2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride is CNCC(C)C(=O)NCCc1nc(-c2ccccc2)c(C)s1.Cl.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
The InChIKey is DCDBUTRVXRPJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS.2ClH/c1-12(11-18-3)17(21)19-10-9-15-20-16(13(2)22-15)14-7-5-4-6-8-14;;/h4-8,12,18H,9-11H2,1-3H3,(H,19,21);2*1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride has a molecular weight of 390.38 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 119893382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).