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

C13H15N3OS — CID 62671032

IUPAC3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESCC(CN)C(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C13H15N3OS/c1-9(8-14)12(17)16-11-4-2-3-10(7-11)13-15-5-6-18-13/h2-7,9H,8,14H2,1H3,(H,16,17)
InChIKeyFFDXVQCWPMIAHC-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.34
Rot. Bonds4

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

3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide (PubChem CID 62671032) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
PubChem CID62671032
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESCC(CN)C(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C13H15N3OS/c1-9(8-14)12(17)16-11-4-2-3-10(7-11)13-15-5-6-18-13/h2-7,9H,8,14H2,1H3,(H,16,17)
InChIKeyFFDXVQCWPMIAHC-UHFFFAOYSA-N
XLogP2.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 65230148
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-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-(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
3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide
CID 62670686

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide (CID 62671032) is 3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide is CC(CN)C(=O)Nc1cccc(-c2nccs2)c1.
What is the InChIKey of 3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
The InChIKey is FFDXVQCWPMIAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9(8-14)12(17)16-11-4-2-3-10(7-11)13-15-5-6-18-13/h2-7,9H,8,14H2,1H3,(H,16,17).
What are the key properties of 3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide?
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide has a molecular weight of 261.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 62671032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).