2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride

C16H23Cl2N3OS — CID 120597348

IUPAC2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride
SMILESCCc1cnc(CN(C)C(=O)C(C)(N)c2ccccc2)s1.Cl.Cl
InChIInChI=1S/C16H21N3OS.2ClH/c1-4-13-10-18-14(21-13)11-19(3)15(20)16(2,17)12-8-6-5-7-9-12;;/h5-10H,4,11,17H2,1-3H3;2*1H
InChIKeyCEOUMIKKKCMSMJ-UHFFFAOYSA-N
MW376.35 g/mol
LogP3.38
Rot. Bonds5

About 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride

2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride (PubChem CID 120597348) has the molecular formula C16H23Cl2N3OS and a molecular weight of 376.35 g/mol. Its IUPAC name is 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride
PubChem CID120597348
Molecular FormulaC16H23Cl2N3OS
Molecular Weight376.35 g/mol
Exact Mass375.09
IUPAC Name2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride
SMILESCCc1cnc(CN(C)C(=O)C(C)(N)c2ccccc2)s1.Cl.Cl
InChIInChI=1S/C16H21N3OS.2ClH/c1-4-13-10-18-14(21-13)11-19(3)15(20)16(2,17)12-8-6-5-7-9-12;;/h5-10H,4,11,17H2,1-3H3;2*1H
InChIKeyCEOUMIKKKCMSMJ-UHFFFAOYSA-N
XLogP3.38
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide
CID 62489621
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120597319
3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 119954141
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119896831
2-amino-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;dihydrochloride
CID 120597643
2-amino-N-[(2-ethoxyphenyl)methyl]-N-methyl-2-phenylpropanamide;hydrochloride
CID 120589610
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-phenylpropanamide
CID 62489282
4-[[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]methyl]benzoic acid
CID 122020351
2-amino-N-(2-hydroxyethyl)-N-methyl-2-phenylpropanamide
CID 62487713
2-amino-N-methyl-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120587851
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 64519424
2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-phenylpropanamide
CID 63273840

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride (CID 120597348) is 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride is CCc1cnc(CN(C)C(=O)C(C)(N)c2ccccc2)s1.Cl.Cl.
What is the InChIKey of 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride?
The InChIKey is CEOUMIKKKCMSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS.2ClH/c1-4-13-10-18-14(21-13)11-19(3)15(20)16(2,17)12-8-6-5-7-9-12;;/h5-10H,4,11,17H2,1-3H3;2*1H.
What are the key properties of 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride?
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride has a molecular weight of 376.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 120597348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).