(2S)-2-amino-N-(5-tert-butyl-4-phenyl-1,3-thiazol-2-yl)propanamide

C16H21N3OS — CID 23646349

IUPAC(2S)-2-amino-N-(5-tert-butyl-4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESC[C@H](N)C(=O)Nc1nc(-c2ccccc2)c(C(C)(C)C)s1
InChIInChI=1S/C16H21N3OS/c1-10(17)14(20)19-15-18-12(11-8-6-5-7-9-11)13(21-15)16(2,3)4/h5-10H,17H2,1-4H3,(H,18,19,20)/t10-/m0/s1
InChIKeyYDKNXEHODDDSPQ-JTQLQIEISA-N
MW303.43 g/mol
LogP3.39
Rot. Bonds3

About (2S)-2-amino-N-(5-tert-butyl-4-phenyl-1,3-thiazol-2-yl)propanamide

(2S)-2-amino-N-(5-tert-butyl-4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 23646349) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-tert-butyl-4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-tert-butyl-4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID23646349
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name(2S)-2-amino-N-(5-tert-butyl-4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESC[C@H](N)C(=O)Nc1nc(-c2ccccc2)c(C(C)(C)C)s1
InChIInChI=1S/C16H21N3OS/c1-10(17)14(20)19-15-18-12(11-8-6-5-7-9-11)13(21-15)16(2,3)4/h5-10H,17H2,1-4H3,(H,18,19,20)/t10-/m0/s1
InChIKeyYDKNXEHODDDSPQ-JTQLQIEISA-N
XLogP3.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[4-(4-bromophenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide
CID 11429547
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 1245792
Dodecanamide, N-(4-phenyl-2-thiazolyl)-
CID 3054676
(2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide
CID 23646351
N-{4-[4-(2-{[amino(imino)methyl]amino}ethyl)phenyl]-1,3-thiazol-2-yl}acetamide hydrochloride
CID 21914946
N-[4-[2-[4-[(N'-ethylcarbamimidoyl)amino]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 21915171
N-(4-Phenylthiazol-2-yl)-2-(piperidin-1-yl)acetamide
CID 2336975
(2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide
CID 23646352
(2S)-2-amino-N-{5-thia-3-azatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),3,9,11-pentaen-4-yl}propanamide
CID 23646360
N-(5-ethyl-4-phenyl-2-thiazolyl)-2-methoxyacetamide
CID 655711
2-(4-methylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 658908
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 702082

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-tert-butyl-4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(5-tert-butyl-4-phenyl-1,3-thiazol-2-yl)propanamide (CID 23646349) is (2S)-2-amino-N-(5-tert-butyl-4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-tert-butyl-4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(5-tert-butyl-4-phenyl-1,3-thiazol-2-yl)propanamide is C[C@H](N)C(=O)Nc1nc(-c2ccccc2)c(C(C)(C)C)s1.
What is the InChIKey of (2S)-2-amino-N-(5-tert-butyl-4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is YDKNXEHODDDSPQ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H21N3OS/c1-10(17)14(20)19-15-18-12(11-8-6-5-7-9-11)13(21-15)16(2,3)4/h5-10H,17H2,1-4H3,(H,18,19,20)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-tert-butyl-4-phenyl-1,3-thiazol-2-yl)propanamide?
(2S)-2-amino-N-(5-tert-butyl-4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 303.43 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-tert-butyl-4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 23646349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).