(2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide

C13H15N3OS — CID 78985618

IUPAC(2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESN[C@H](Cc1ccccc1)C(=O)NCc1nccs1
InChIInChI=1S/C13H15N3OS/c14-11(8-10-4-2-1-3-5-10)13(17)16-9-12-15-6-7-18-12/h1-7,11H,8-9,14H2,(H,16,17)/t11-/m1/s1
InChIKeyVVXVKUDFDDCASK-LLVKDONJSA-N
MW261.35 g/mol
LogP1.33
Rot. Bonds5

About (2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide

(2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide (PubChem CID 78985618) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is (2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
PubChem CID78985618
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name(2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
SMILESN[C@H](Cc1ccccc1)C(=O)NCc1nccs1
InChIInChI=1S/C13H15N3OS/c14-11(8-10-4-2-1-3-5-10)13(17)16-9-12-15-6-7-18-12/h1-7,11H,8-9,14H2,(H,16,17)/t11-/m1/s1
InChIKeyVVXVKUDFDDCASK-LLVKDONJSA-N
XLogP1.33
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 114927829
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CID 56832236
(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 79023405
(2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
CID 103814799
2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide
CID 61284261
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
(2S)-2-amino-3-phenyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 170910029
2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283682
(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 104903307
3-amino-2-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 62878373
2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61285504
(2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 104908214

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
The IUPAC name of (2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide (CID 78985618) is (2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide is N[C@H](Cc1ccccc1)C(=O)NCc1nccs1.
What is the InChIKey of (2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
The InChIKey is VVXVKUDFDDCASK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N3OS/c14-11(8-10-4-2-1-3-5-10)13(17)16-9-12-15-6-7-18-12/h1-7,11H,8-9,14H2,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide?
(2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide has a molecular weight of 261.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide is sourced from PubChem (CID 78985618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).