(2R)-2-amino-3-(4-hydroxyphenyl)-N-(thiadiazol-5-yl)propanamide

C11H12N4O2S — CID 104982935

IUPAC(2R)-2-amino-3-(4-hydroxyphenyl)-N-(thiadiazol-5-yl)propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)Nc1cnns1
InChIInChI=1S/C11H12N4O2S/c12-9(5-7-1-3-8(16)4-2-7)11(17)14-10-6-13-15-18-10/h1-4,6,9,16H,5,12H2,(H,14,17)/t9-/m1/s1
InChIKeyRBKHLGDNGZPMHQ-SECBINFHSA-N
MW264.31 g/mol
LogP0.75
Rot. Bonds4

About (2R)-2-amino-3-(4-hydroxyphenyl)-N-(thiadiazol-5-yl)propanamide

(2R)-2-amino-3-(4-hydroxyphenyl)-N-(thiadiazol-5-yl)propanamide (PubChem CID 104982935) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-hydroxyphenyl)-N-(thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-(thiadiazol-5-yl)propanamide
PubChem CID104982935
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-(thiadiazol-5-yl)propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)Nc1cnns1
InChIInChI=1S/C11H12N4O2S/c12-9(5-7-1-3-8(16)4-2-7)11(17)14-10-6-13-15-18-10/h1-4,6,9,16H,5,12H2,(H,14,17)/t9-/m1/s1
InChIKeyRBKHLGDNGZPMHQ-SECBINFHSA-N
XLogP0.75
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-formyl-3-(4-hydroxyphenyl)propanamide
CID 88879957
2-amino-3-(4-hydroxyphenyl)-N-pyridin-3-ylpropanamide
CID 76892449
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 104904532
(2S)-2-amino-N-(5-fluoro-2-pyridinyl)-3-(4-hydroxyphenyl)propanamide
CID 65482263
(2R)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-3-(4-hydroxyphenyl)propanamide
CID 104905499
2-amino-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 114350796
2-amino-3-methyl-N-(thiadiazol-5-yl)butanamide
CID 130171145
2-amino-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891904
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 61156101
2-amino-N-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891970
2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 77067964
2-amino-N-[1-(hydroxymethyl)cyclopropyl]-3-(4-hydroxyphenyl)propanamide
CID 114350792

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(thiadiazol-5-yl)propanamide?
The IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(thiadiazol-5-yl)propanamide (CID 104982935) is (2R)-2-amino-3-(4-hydroxyphenyl)-N-(thiadiazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-3-(4-hydroxyphenyl)-N-(thiadiazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-amino-3-(4-hydroxyphenyl)-N-(thiadiazol-5-yl)propanamide is N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cnns1.
What is the InChIKey of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(thiadiazol-5-yl)propanamide?
The InChIKey is RBKHLGDNGZPMHQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H12N4O2S/c12-9(5-7-1-3-8(16)4-2-7)11(17)14-10-6-13-15-18-10/h1-4,6,9,16H,5,12H2,(H,14,17)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-hydroxyphenyl)-N-(thiadiazol-5-yl)propanamide?
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(thiadiazol-5-yl)propanamide has a molecular weight of 264.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-hydroxyphenyl)-N-(thiadiazol-5-yl)propanamide is sourced from PubChem (CID 104982935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).