(2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide

C14H17N3OS — CID 103814799

IUPAC(2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
SMILESCc1cnc(CNC(=O)[C@H](N)Cc2ccccc2)s1
InChIInChI=1S/C14H17N3OS/c1-10-8-16-13(19-10)9-17-14(18)12(15)7-11-5-3-2-4-6-11/h2-6,8,12H,7,9,15H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyCIUSJRCEJSTHOP-GFCCVEGCSA-N
MW275.38 g/mol
LogP1.64
Rot. Bonds5

About (2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide

(2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide (PubChem CID 103814799) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is (2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
PubChem CID103814799
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name(2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
SMILESCc1cnc(CNC(=O)[C@H](N)Cc2ccccc2)s1
InChIInChI=1S/C14H17N3OS/c1-10-8-16-13(19-10)9-17-14(18)12(15)7-11-5-3-2-4-6-11/h2-6,8,12H,7,9,15H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyCIUSJRCEJSTHOP-GFCCVEGCSA-N
XLogP1.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814809
(2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 78985618
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119891833
2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride
CID 56832236
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide
CID 104941410
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119869371
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 93428558
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide
CID 103795817
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide
CID 60857697
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 107231056

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide (CID 103814799) is (2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide is Cc1cnc(CNC(=O)[C@H](N)Cc2ccccc2)s1.
What is the InChIKey of (2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is CIUSJRCEJSTHOP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-8-16-13(19-10)9-17-14(18)12(15)7-11-5-3-2-4-6-11/h2-6,8,12H,7,9,15H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide?
(2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 275.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 103814799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).