(2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide

C8H13N3O2S — CID 106381235

IUPAC(2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H13N3O2S/c1-2-6(9)7(12)10-3-5-4-14-8(13)11-5/h4,6H,2-3,9H2,1H3,(H,10,12)(H,11,13)/t6-/m0/s1
InChIKeyVSXYIHDVRGXNEY-LURJTMIESA-N
MW215.28 g/mol
LogP-0.21
Rot. Bonds4

About (2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide

(2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide (PubChem CID 106381235) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
PubChem CID106381235
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name(2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C8H13N3O2S/c1-2-6(9)7(12)10-3-5-4-14-8(13)11-5/h4,6H,2-3,9H2,1H3,(H,10,12)(H,11,13)/t6-/m0/s1
InChIKeyVSXYIHDVRGXNEY-LURJTMIESA-N
XLogP-0.21
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pentanamide
CID 106381170
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054
ethyl 3,3-dimethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]butanoate
CID 106383119
3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-phenylpentanamide
CID 122133474
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 114181747
N-ethyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]propanamide
CID 106381107
3-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 106382853
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]butanamide;hydrochloride
CID 119293800
3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106379162
(2S)-2-amino-N-[(5-methylthiophen-2-yl)methyl]butanamide
CID 79022853
(2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide
CID 79023085
4-[[(2-amino-3-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381832

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide (CID 106381235) is (2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide is CC[C@H](N)C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of (2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
The InChIKey is VSXYIHDVRGXNEY-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-2-6(9)7(12)10-3-5-4-14-8(13)11-5/h4,6H,2-3,9H2,1H3,(H,10,12)(H,11,13)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide?
(2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide has a molecular weight of 215.28 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide is sourced from PubChem (CID 106381235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).