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

C15H19N3OS — CID 65230148

IUPAC2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
SMILESCC(C)C(CN)C(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C15H19N3OS/c1-10(2)13(9-16)14(19)18-12-5-3-4-11(8-12)15-17-6-7-20-15/h3-8,10,13H,9,16H2,1-2H3,(H,18,19)
InChIKeyJNXIXOFRFULKDX-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.98
Rot. Bonds5

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

2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide (PubChem CID 65230148) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
PubChem CID65230148
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
SMILESCC(C)C(CN)C(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C15H19N3OS/c1-10(2)13(9-16)14(19)18-12-5-3-4-11(8-12)15-17-6-7-20-15/h3-8,10,13H,9,16H2,1-2H3,(H,18,19)
InChIKeyJNXIXOFRFULKDX-UHFFFAOYSA-N
XLogP2.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032
(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-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
2-amino-N-[2-oxo-2-[3-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60928490
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 62838310
2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 79792418
2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide
CID 65226098
2-(2,4-dichlorophenoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 55817441
1-(2-hydroxyethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 47442231
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62834909

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide (CID 65230148) is 2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide is CC(C)C(CN)C(=O)Nc1cccc(-c2nccs2)c1.
What is the InChIKey of 2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide?
The InChIKey is JNXIXOFRFULKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(2)13(9-16)14(19)18-12-5-3-4-11(8-12)15-17-6-7-20-15/h3-8,10,13H,9,16H2,1-2H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide?
2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide has a molecular weight of 289.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide is sourced from PubChem (CID 65230148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).