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

C12H13N3O2S — CID 104904532

IUPAC(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)Nc1nccs1
InChIInChI=1S/C12H13N3O2S/c13-10(7-8-1-3-9(16)4-2-8)11(17)15-12-14-5-6-18-12/h1-6,10,16H,7,13H2,(H,14,15,17)/t10-/m1/s1
InChIKeySLCMSNUPNPZCKY-SNVBAGLBSA-N
MW263.32 g/mol
LogP1.36
Rot. Bonds4

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

(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 104904532) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID104904532
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)Nc1nccs1
InChIInChI=1S/C12H13N3O2S/c13-10(7-8-1-3-9(16)4-2-8)11(17)15-12-14-5-6-18-12/h1-6,10,16H,7,13H2,(H,14,15,17)/t10-/m1/s1
InChIKeySLCMSNUPNPZCKY-SNVBAGLBSA-N
XLogP1.36
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283
3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 169288578
(2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 78985618
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(thiadiazol-5-yl)propanamide
CID 104982935
2-amino-3-(4-hydroxyphenyl)-N-pyridin-3-ylpropanamide
CID 76892449
(2S)-2-amino-N-(3-butoxy-1,2,4-thiadiazol-5-yl)-3-(4-hydroxyphenyl)propanamide
CID 22887934
(2S)-2-amino-N-(5-fluoro-2-pyridinyl)-3-(4-hydroxyphenyl)propanamide
CID 65482263
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 61148539
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide
CID 104905050
(2R)-2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-(4-hydroxyphenyl)propanamide
CID 104905272
2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 77067964
2-amino-N-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891970

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide (CID 104904532) is (2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide is N[C@H](Cc1ccc(O)cc1)C(=O)Nc1nccs1.
What is the InChIKey of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is SLCMSNUPNPZCKY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-10(7-8-1-3-9(16)4-2-8)11(17)15-12-14-5-6-18-12/h1-6,10,16H,7,13H2,(H,14,15,17)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide?
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 263.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 104904532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).