N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride

C16H23Cl2N3OS — CID 120652084

IUPACN-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cccc(-c2csc(C)n2)c1.Cl.Cl
InChIInChI=1S/C16H21N3OS.2ClH/c1-4-17-11(2)9-18-16(20)14-7-5-6-13(8-14)15-10-21-12(3)19-15;;/h5-8,10-11,17H,4,9H2,1-3H3,(H,18,20);2*1H/t11-;;/m1../s1
InChIKeyCDJXREUWMUTEKE-NVJADKKVSA-N
MW376.35 g/mol
LogP3.69
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride

N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride (PubChem CID 120652084) has the molecular formula C16H23Cl2N3OS and a molecular weight of 376.35 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
PubChem CID120652084
Molecular FormulaC16H23Cl2N3OS
Molecular Weight376.35 g/mol
Exact Mass375.09
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)c1cccc(-c2csc(C)n2)c1.Cl.Cl
InChIInChI=1S/C16H21N3OS.2ClH/c1-4-17-11(2)9-18-16(20)14-7-5-6-13(8-14)15-10-21-12(3)19-15;;/h5-8,10-11,17H,4,9H2,1-3H3,(H,18,20);2*1H/t11-;;/m1../s1
InChIKeyCDJXREUWMUTEKE-NVJADKKVSA-N
XLogP3.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 119498471
N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 70899033
N-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 111471390
N-[2-(methylamino)propyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride
CID 120828174
N-(1-hydroxypropan-2-yl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 109388507
N-[(2R)-1-methoxypropan-2-yl]sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 99812786
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 120890642
N-(2-amino-1-cyclohexylethyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 119591379
N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120651476
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 111482579
N-[(2S)-1-methoxypropan-2-yl]-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]benzamide
CID 125444057
3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120652569

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride (CID 120652084) is N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride is CCN[C@H](C)CNC(=O)c1cccc(-c2csc(C)n2)c1.Cl.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride?
The InChIKey is CDJXREUWMUTEKE-NVJADKKVSA-N. The full InChI is InChI=1S/C16H21N3OS.2ClH/c1-4-17-11(2)9-18-16(20)14-7-5-6-13(8-14)15-10-21-12(3)19-15;;/h5-8,10-11,17H,4,9H2,1-3H3,(H,18,20);2*1H/t11-;;/m1../s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride?
N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride has a molecular weight of 376.35 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride is sourced from PubChem (CID 120652084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).