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

C15H19N3OS — CID 62838310

IUPAC3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
SMILESCCNC(C)CC(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C15H19N3OS/c1-3-16-11(2)9-14(19)18-13-6-4-5-12(10-13)15-17-7-8-20-15/h4-8,10-11,16H,3,9H2,1-2H3,(H,18,19)
InChIKeyNSOWHTLHJSHYID-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.14
Rot. Bonds6

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

3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide (PubChem CID 62838310) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
PubChem CID62838310
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
SMILESCCNC(C)CC(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C15H19N3OS/c1-3-16-11(2)9-14(19)18-13-6-4-5-12(10-13)15-17-7-8-20-15/h4-8,10-11,16H,3,9H2,1-2H3,(H,18,19)
InChIKeyNSOWHTLHJSHYID-UHFFFAOYSA-N
XLogP3.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62834909
4-ethoxy-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 47353616
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
(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 61173914
(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 61180169
2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 54862805
2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 65230148
2-amino-N-[2-oxo-2-[3-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60928490
N-(3-bromophenyl)-3-(ethylamino)butanamide
CID 62838058
3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 62837372
3-(ethylamino)-N-quinoxalin-6-ylbutanamide
CID 62839375

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide?
The IUPAC name of 3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide (CID 62838310) is 3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide.
What is the SMILES notation for 3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide?
The canonical SMILES for 3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide is CCNC(C)CC(=O)Nc1cccc(-c2nccs2)c1.
What is the InChIKey of 3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide?
The InChIKey is NSOWHTLHJSHYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-16-11(2)9-14(19)18-13-6-4-5-12(10-13)15-17-7-8-20-15/h4-8,10-11,16H,3,9H2,1-2H3,(H,18,19).
What are the key properties of 3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide?
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide has a molecular weight of 289.40 g/mol, XLogP of 3.14, 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]butanamide is sourced from PubChem (CID 62838310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).