N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3-thiazol-4-yl)propanamide

C16H21N3OS — CID 120885522

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3-thiazol-4-yl)propanamide
SMILESNCCN(CCc1ccccc1)C(=O)CCc1cscn1
InChIInChI=1S/C16H21N3OS/c17-9-11-19(10-8-14-4-2-1-3-5-14)16(20)7-6-15-12-21-13-18-15/h1-5,12-13H,6-11,17H2
InChIKeyKECVQYBWUIUOPE-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.11
Rot. Bonds8

About N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3-thiazol-4-yl)propanamide

N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 120885522) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3-thiazol-4-yl)propanamide
PubChem CID120885522
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3-thiazol-4-yl)propanamide
SMILESNCCN(CCc1ccccc1)C(=O)CCc1cscn1
InChIInChI=1S/C16H21N3OS/c17-9-11-19(10-8-14-4-2-1-3-5-14)16(20)7-6-15-12-21-13-18-15/h1-5,12-13H,6-11,17H2
InChIKeyKECVQYBWUIUOPE-UHFFFAOYSA-N
XLogP2.11
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-3-(4-bromothiophen-2-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886615
N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide
CID 120885888
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
CID 120886564
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120885211
N-(2-aminoethyl)-3-cyclopropyl-N-(2-phenylethyl)propanamide
CID 120886734
3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884500
N-(2-aminoethyl)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylethyl)propanamide;dihydrochloride
CID 120886931
N-(2-aminoethyl)-3-(1-benzofuran-2-yl)-N-(2-phenylethyl)propanamide
CID 120885666

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3-thiazol-4-yl)propanamide (CID 120885522) is N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3-thiazol-4-yl)propanamide is NCCN(CCc1ccccc1)C(=O)CCc1cscn1.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3-thiazol-4-yl)propanamide?
The InChIKey is KECVQYBWUIUOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c17-9-11-19(10-8-14-4-2-1-3-5-14)16(20)7-6-15-12-21-13-18-15/h1-5,12-13H,6-11,17H2.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3-thiazol-4-yl)propanamide?
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3-thiazol-4-yl)propanamide has a molecular weight of 303.43 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 120885522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).