2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide

C16H28N4O2S — CID 110450729

IUPAC2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCC(C)C(N)c1nc(CC(=O)NCCCN2CCOCC2)cs1
InChIInChI=1S/C16H28N4O2S/c1-12(2)15(17)16-19-13(11-23-16)10-14(21)18-4-3-5-20-6-8-22-9-7-20/h11-12,15H,3-10,17H2,1-2H3,(H,18,21)
InChIKeyFJYPJWXVWBUIEL-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.18
Rot. Bonds8

About 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 110450729) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID110450729
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Name2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCC(C)C(N)c1nc(CC(=O)NCCCN2CCOCC2)cs1
InChIInChI=1S/C16H28N4O2S/c1-12(2)15(17)16-19-13(11-23-16)10-14(21)18-4-3-5-20-6-8-22-9-7-20/h11-12,15H,3-10,17H2,1-2H3,(H,18,21)
InChIKeyFJYPJWXVWBUIEL-UHFFFAOYSA-N
XLogP1.18
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3437555
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-pyrrolidin-1-ylbutyl)acetamide
CID 82547503
ethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 82547809
4-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 82547802
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119394536
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
CID 82547942
2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575536
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548148
2-(2-tert-butyl-4-methyl-1,3-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 84577008
2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696602
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 110450729) is 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide is CC(C)C(N)c1nc(CC(=O)NCCCN2CCOCC2)cs1.
What is the InChIKey of 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is FJYPJWXVWBUIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-12(2)15(17)16-19-13(11-23-16)10-14(21)18-4-3-5-20-6-8-22-9-7-20/h11-12,15H,3-10,17H2,1-2H3,(H,18,21).
What are the key properties of 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 340.49 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 110450729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).