2-amino-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

C12H14N4O2S — CID 114350796

IUPAC2-amino-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)C(N)Cc2ccc(O)cc2)s1
InChIInChI=1S/C12H14N4O2S/c1-7-15-16-12(19-7)14-11(18)10(13)6-8-2-4-9(17)5-3-8/h2-5,10,17H,6,13H2,1H3,(H,14,16,18)
InChIKeyHGWCWIKVABUXBL-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.06
Rot. Bonds4

About 2-amino-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

2-amino-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 114350796) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID114350796
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-amino-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCc1nnc(NC(=O)C(N)Cc2ccc(O)cc2)s1
InChIInChI=1S/C12H14N4O2S/c1-7-15-16-12(19-7)14-11(18)10(13)6-8-2-4-9(17)5-3-8/h2-5,10,17H,6,13H2,1H3,(H,14,16,18)
InChIKeyHGWCWIKVABUXBL-UHFFFAOYSA-N
XLogP1.06
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 104904532
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 61148539
(2R)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-3-(4-hydroxyphenyl)propanamide
CID 104905499
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(thiadiazol-5-yl)propanamide
CID 104982935
(2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905420
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 61149131
(2S)-2-amino-N-(3-butoxy-1,2,4-thiadiazol-5-yl)-3-(4-hydroxyphenyl)propanamide
CID 22887934
(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
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide (CID 114350796) is 2-amino-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is Cc1nnc(NC(=O)C(N)Cc2ccc(O)cc2)s1.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is HGWCWIKVABUXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-7-15-16-12(19-7)14-11(18)10(13)6-8-2-4-9(17)5-3-8/h2-5,10,17H,6,13H2,1H3,(H,14,16,18).
What are the key properties of 2-amino-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide?
2-amino-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 278.34 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 114350796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).