2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide

C13H15N3O2S — CID 77020366

IUPAC2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)NCc1cscn1
InChIInChI=1S/C13H15N3O2S/c14-12(5-9-1-3-11(17)4-2-9)13(18)15-6-10-7-19-8-16-10/h1-4,7-8,12,17H,5-6,14H2,(H,15,18)
InChIKeyRKLBIDIZNNDDOY-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.03
Rot. Bonds5

About 2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide

2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide (PubChem CID 77020366) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide
PubChem CID77020366
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)NCc1cscn1
InChIInChI=1S/C13H15N3O2S/c14-12(5-9-1-3-11(17)4-2-9)13(18)15-6-10-7-19-8-16-10/h1-4,7-8,12,17H,5-6,14H2,(H,15,18)
InChIKeyRKLBIDIZNNDDOY-UHFFFAOYSA-N
XLogP1.03
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-5-ylmethyl)propanamide
CID 104905604
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 61148298
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 104905125
(2R)-2-amino-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 104904605
2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 76892661
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 61148036
(2S)-2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 106371782
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
2-amino-3-(4-hydroxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 175450549

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide (CID 77020366) is 2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide is NC(Cc1ccc(O)cc1)C(=O)NCc1cscn1.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide?
The InChIKey is RKLBIDIZNNDDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c14-12(5-9-1-3-11(17)4-2-9)13(18)15-6-10-7-19-8-16-10/h1-4,7-8,12,17H,5-6,14H2,(H,15,18).
What are the key properties of 2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide?
2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide has a molecular weight of 277.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide is sourced from PubChem (CID 77020366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).