(2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide

C10H17N3OS — CID 104878243

IUPAC(2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
SMILESCC[C@@H](N)C(=O)NC(C)(C)c1nccs1
InChIInChI=1S/C10H17N3OS/c1-4-7(11)8(14)13-10(2,3)9-12-5-6-15-9/h5-7H,4,11H2,1-3H3,(H,13,14)/t7-/m1/s1
InChIKeyUQQTVGNUEPJIRJ-SSDOTTSWSA-N
MW227.33 g/mol
LogP1.23
Rot. Bonds4

About (2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide

(2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide (PubChem CID 104878243) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
PubChem CID104878243
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name(2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
SMILESCC[C@@H](N)C(=O)NC(C)(C)c1nccs1
InChIInChI=1S/C10H17N3OS/c1-4-7(11)8(14)13-10(2,3)9-12-5-6-15-9/h5-7H,4,11H2,1-3H3,(H,13,14)/t7-/m1/s1
InChIKeyUQQTVGNUEPJIRJ-SSDOTTSWSA-N
XLogP1.23
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 114131819
3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide
CID 114130929
1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 103672241
2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide
CID 103718140
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283
(2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)butanamide
CID 119325785
(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 79023405
3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
CID 119953291
N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide
CID 130748525
2-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 110472120
(2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid
CID 114131864
3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide
CID 114131562

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide?
The IUPAC name of (2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide (CID 104878243) is (2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide is CC[C@@H](N)C(=O)NC(C)(C)c1nccs1.
What is the InChIKey of (2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide?
The InChIKey is UQQTVGNUEPJIRJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-4-7(11)8(14)13-10(2,3)9-12-5-6-15-9/h5-7H,4,11H2,1-3H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide?
(2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide has a molecular weight of 227.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide is sourced from PubChem (CID 104878243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).