(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide

C8H13N3OS — CID 79023405

IUPAC(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESCC[C@H](N)C(=O)NCc1nccs1
InChIInChI=1S/C8H13N3OS/c1-2-6(9)8(12)11-5-7-10-3-4-13-7/h3-4,6H,2,5,9H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyJTKVAOKKGLKFGP-LURJTMIESA-N
MW199.28 g/mol
LogP0.50
Rot. Bonds4

About (2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide

(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide (PubChem CID 79023405) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is (2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide
PubChem CID79023405
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESCC[C@H](N)C(=O)NCc1nccs1
InChIInChI=1S/C8H13N3OS/c1-2-6(9)8(12)11-5-7-10-3-4-13-7/h3-4,6H,2,5,9H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyJTKVAOKKGLKFGP-LURJTMIESA-N
XLogP0.50
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
(2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283871
2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide
CID 61284261
(2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 104908214
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283
(2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 78985618
2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 114927829
(2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814809
2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 63239940
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
(2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 104878243

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide (CID 79023405) is (2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide is CC[C@H](N)C(=O)NCc1nccs1.
What is the InChIKey of (2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide?
The InChIKey is JTKVAOKKGLKFGP-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3OS/c1-2-6(9)8(12)11-5-7-10-3-4-13-7/h3-4,6H,2,5,9H2,1H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide?
(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide has a molecular weight of 199.28 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide is sourced from PubChem (CID 79023405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).