(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide

C10H17N3OS — CID 78973521

IUPAC(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](N)C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C10H17N3OS/c1-6(11)8(14)13-9-12-7(5-15-9)10(2,3)4/h5-6H,11H2,1-4H3,(H,12,13,14)/t6-/m1/s1
InChIKeySEQMSQQMWUHTBI-ZCFIWIBFSA-N
MW227.33 g/mol
LogP1.73
Rot. Bonds2

About (2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide

(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide (PubChem CID 78973521) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
PubChem CID78973521
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](N)C(=O)Nc1nc(C(C)(C)C)cs1
InChIInChI=1S/C10H17N3OS/c1-6(11)8(14)13-9-12-7(5-15-9)10(2,3)4/h5-6H,11H2,1-4H3,(H,12,13,14)/t6-/m1/s1
InChIKeySEQMSQQMWUHTBI-ZCFIWIBFSA-N
XLogP1.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide
CID 54960202
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
3-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methoxypropanamide
CID 114145061
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)propanamide
CID 86902839
(2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide
CID 120873882
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 78780585
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107025368
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(ethylamino)butanamide
CID 55121500
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
3-amino-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119879489

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide (CID 78973521) is (2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide is C[C@@H](N)C(=O)Nc1nc(C(C)(C)C)cs1.
What is the InChIKey of (2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is SEQMSQQMWUHTBI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-6(11)8(14)13-9-12-7(5-15-9)10(2,3)4/h5-6H,11H2,1-4H3,(H,12,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide?
(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 227.33 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 78973521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).