2-amino-N-(1,3-thiazol-2-yl)butanamide

C7H11N3OS — CID 43649283

IUPAC2-amino-N-(1,3-thiazol-2-yl)butanamide
SMILESCCC(N)C(=O)Nc1nccs1
InChIInChI=1S/C7H11N3OS/c1-2-5(8)6(11)10-7-9-3-4-12-7/h3-5H,2,8H2,1H3,(H,9,10,11)
InChIKeyLCBJKYNHEDHPSW-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.82
Rot. Bonds3

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

2-amino-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 43649283) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-amino-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-(1,3-thiazol-2-yl)butanamide
PubChem CID43649283
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name2-amino-N-(1,3-thiazol-2-yl)butanamide
SMILESCCC(N)C(=O)Nc1nccs1
InChIInChI=1S/C7H11N3OS/c1-2-5(8)6(11)10-7-9-3-4-12-7/h3-5H,2,8H2,1H3,(H,9,10,11)
InChIKeyLCBJKYNHEDHPSW-UHFFFAOYSA-N
XLogP0.82
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 79023405
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
CID 23886306
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 104904532
(2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 79025534
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 59361268
(2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 104878243
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)butanamide
CID 2952251
(2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 8762760
2-amino-N-(4-methyl-1,3-thiazol-5-yl)butanamide;dihydrochloride
CID 130804842
2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 17034258

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-amino-N-(1,3-thiazol-2-yl)butanamide (CID 43649283) is 2-amino-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-amino-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-amino-N-(1,3-thiazol-2-yl)butanamide is CCC(N)C(=O)Nc1nccs1.
What is the InChIKey of 2-amino-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is LCBJKYNHEDHPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-2-5(8)6(11)10-7-9-3-4-12-7/h3-5H,2,8H2,1H3,(H,9,10,11).
What are the key properties of 2-amino-N-(1,3-thiazol-2-yl)butanamide?
2-amino-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 185.25 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 43649283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).