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

C16H21N3OS — CID 119954141

IUPAC3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide
SMILESCCc1cnc(CN(C)C(=O)CC(N)c2ccccc2)s1
InChIInChI=1S/C16H21N3OS/c1-3-13-10-18-15(21-13)11-19(2)16(20)9-14(17)12-7-5-4-6-8-12/h4-8,10,14H,3,9,11,17H2,1-2H3
InChIKeyIKDQCHQRZYCEJX-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.75
Rot. Bonds6

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

3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide (PubChem CID 119954141) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide
PubChem CID119954141
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide
SMILESCCc1cnc(CN(C)C(=O)CC(N)c2ccccc2)s1
InChIInChI=1S/C16H21N3OS/c1-3-13-10-18-15(21-13)11-19(2)16(20)9-14(17)12-7-5-4-6-8-12/h4-8,10,14H,3,9,11,17H2,1-2H3
InChIKeyIKDQCHQRZYCEJX-UHFFFAOYSA-N
XLogP2.75
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-phenylpropanamide;dihydrochloride
CID 120597348
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119896831
3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 60962958
2-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-phenylacetamide
CID 103814835
3-amino-N-methyl-3-phenyl-N-(thiophen-3-ylmethyl)propanamide
CID 43528267
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide
CID 43588867
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
3-(2,3-dihydro-1-benzofuran-3-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71981686
(2S)-2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-phenylacetic acid
CID 122038564
3-amino-N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950369
3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950674

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide (CID 119954141) is 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide is CCc1cnc(CN(C)C(=O)CC(N)c2ccccc2)s1.
What is the InChIKey of 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide?
The InChIKey is IKDQCHQRZYCEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-13-10-18-15(21-13)11-19(2)16(20)9-14(17)12-7-5-4-6-8-12/h4-8,10,14H,3,9,11,17H2,1-2H3.
What are the key properties of 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide?
3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide has a molecular weight of 303.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 119954141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).