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

C12H23Cl2N3OS — CID 119870218

IUPAC2-amino-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)NC(C)(C)c1ncc(C)s1.Cl.Cl
InChIInChI=1S/C12H21N3OS.2ClH/c1-5-6-9(13)10(16)15-12(3,4)11-14-7-8(2)17-11;;/h7,9H,5-6,13H2,1-4H3,(H,15,16);2*1H
InChIKeyBEMJKSDNNFBFIJ-UHFFFAOYSA-N
MW328.31 g/mol
LogP2.77
Rot. Bonds5

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

2-amino-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]pentanamide;dihydrochloride (PubChem CID 119870218) has the molecular formula C12H23Cl2N3OS and a molecular weight of 328.31 g/mol. Its IUPAC name is 2-amino-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]pentanamide;dihydrochloride
PubChem CID119870218
Molecular FormulaC12H23Cl2N3OS
Molecular Weight328.31 g/mol
Exact Mass327.09
IUPAC Name2-amino-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]pentanamide;dihydrochloride
SMILESCCCC(N)C(=O)NC(C)(C)c1ncc(C)s1.Cl.Cl
InChIInChI=1S/C12H21N3OS.2ClH/c1-5-6-9(13)10(16)15-12(3,4)11-14-7-8(2)17-11;;/h7,9H,5-6,13H2,1-4H3,(H,15,16);2*1H
InChIKeyBEMJKSDNNFBFIJ-UHFFFAOYSA-N
XLogP2.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 52.77
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-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-phenylpropanamide
CID 119870225
2-cyclopropyl-2-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 136547852
3-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid
CID 122018657
2-amino-N-(3-methylpentan-3-yl)pentanamide;hydrochloride
CID 119324973
2-amino-N-[2-(4-ethylphenyl)propan-2-yl]pentanamide
CID 119337742
(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]pentanamide
CID 113264007
2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]pentanamide
CID 119345028
(2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 104878243
2-amino-N-[2-(3-chlorophenyl)propan-2-yl]pentanamide
CID 119330329
(2S)-2-amino-N-(3-methylpentan-3-yl)pentanamide
CID 106328652
(2R)-2-amino-N-(2-methylbutan-2-yl)pentanamide
CID 103793847

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]pentanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]pentanamide;dihydrochloride (CID 119870218) is 2-amino-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]pentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]pentanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]pentanamide;dihydrochloride is CCCC(N)C(=O)NC(C)(C)c1ncc(C)s1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]pentanamide;dihydrochloride?
The InChIKey is BEMJKSDNNFBFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS.2ClH/c1-5-6-9(13)10(16)15-12(3,4)11-14-7-8(2)17-11;;/h7,9H,5-6,13H2,1-4H3,(H,15,16);2*1H.
What are the key properties of 2-amino-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]pentanamide;dihydrochloride?
2-amino-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]pentanamide;dihydrochloride has a molecular weight of 328.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]pentanamide;dihydrochloride is sourced from PubChem (CID 119870218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).