3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide

C14H17N3OS — CID 62834909

IUPAC3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESCCNCCC(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C14H17N3OS/c1-2-15-7-6-13(18)17-12-5-3-4-11(10-12)14-16-8-9-19-14/h3-5,8-10,15H,2,6-7H2,1H3,(H,17,18)
InChIKeyOGJMVLPTFHQRMT-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.75
Rot. Bonds6

About 3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide

3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide (PubChem CID 62834909) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
PubChem CID62834909
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESCCNCCC(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C14H17N3OS/c1-2-15-7-6-13(18)17-12-5-3-4-11(10-12)14-16-8-9-19-14/h3-5,8-10,15H,2,6-7H2,1H3,(H,17,18)
InChIKeyOGJMVLPTFHQRMT-UHFFFAOYSA-N
XLogP2.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 47353616
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 62838310
1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 47442231
2-amino-N-[2-oxo-2-[3-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60928490
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091
3-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 55991737
3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62832165
(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 61173914
2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 54862805
(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 61180169
2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 79792418

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide (CID 62834909) is 3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide is CCNCCC(=O)Nc1cccc(-c2nccs2)c1.
What is the InChIKey of 3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
The InChIKey is OGJMVLPTFHQRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-15-7-6-13(18)17-12-5-3-4-11(10-12)14-16-8-9-19-14/h3-5,8-10,15H,2,6-7H2,1H3,(H,17,18).
What are the key properties of 3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide has a molecular weight of 275.38 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 62834909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).