3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide

C17H23N3OS — CID 119870225

IUPAC3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide
SMILESCc1cnc(C(C)(C)NC(=O)C(C)C(N)c2ccccc2)s1
InChIInChI=1S/C17H23N3OS/c1-11-10-19-16(22-11)17(3,4)20-15(21)12(2)14(18)13-8-6-5-7-9-13/h5-10,12,14H,18H2,1-4H3,(H,20,21)
InChIKeyJBBIGUUEGXZWCM-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.14
Rot. Bonds5

About 3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide

3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide (PubChem CID 119870225) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide
PubChem CID119870225
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide
SMILESCc1cnc(C(C)(C)NC(=O)C(C)C(N)c2ccccc2)s1
InChIInChI=1S/C17H23N3OS/c1-11-10-19-16(22-11)17(3,4)20-15(21)12(2)14(18)13-8-6-5-7-9-13/h5-10,12,14H,18H2,1-4H3,(H,20,21)
InChIKeyJBBIGUUEGXZWCM-UHFFFAOYSA-N
XLogP3.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-2-phenylacetamide
CID 111860346
3-amino-2-methyl-3-phenyl-N-(2-phenylpropan-2-yl)propanamide;hydrochloride
CID 119709318
2-amino-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]pentanamide;dihydrochloride
CID 119870218
3-amino-2-methyl-N-[2-(3-methylphenyl)propan-2-yl]-3-phenylpropanamide
CID 119795633
3-amino-2-methyl-N-(2-methylbutan-2-yl)-3-phenylpropanamide
CID 80551789
3-amino-N-carbamoyl-2-methyl-3-phenylpropanamide
CID 80552689
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
3-amino-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methyl-3-phenylpropanamide
CID 119860728
3-amino-2-methyl-N-(2-methyl-2-phenylpropyl)-3-phenylpropanamide
CID 119724309
2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 166301885
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119673932
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-tert-butylbenzamide
CID 119707303

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide (CID 119870225) is 3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide is Cc1cnc(C(C)(C)NC(=O)C(C)C(N)c2ccccc2)s1.
What is the InChIKey of 3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide?
The InChIKey is JBBIGUUEGXZWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-11-10-19-16(22-11)17(3,4)20-15(21)12(2)14(18)13-8-6-5-7-9-13/h5-10,12,14H,18H2,1-4H3,(H,20,21).
What are the key properties of 3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide?
3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide has a molecular weight of 317.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 119870225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).