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

C18H25N3OS — CID 110450658

IUPAC2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)Cc1csc(C(N)C(C)C)n1
InChIInChI=1S/C18H25N3OS/c1-11(2)14-7-5-6-8-15(14)21-16(22)9-13-10-23-18(20-13)17(19)12(3)4/h5-8,10-12,17H,9,19H2,1-4H3,(H,21,22)
InChIKeyQUODUVWGAFEEKS-UHFFFAOYSA-N
MW331.49 g/mol
LogP4.10
Rot. Bonds6

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

2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 110450658) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
PubChem CID110450658
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)Cc1csc(C(N)C(C)C)n1
InChIInChI=1S/C18H25N3OS/c1-11(2)14-7-5-6-8-15(14)21-16(22)9-13-10-23-18(20-13)17(19)12(3)4/h5-8,10-12,17H,9,19H2,1-4H3,(H,21,22)
InChIKeyQUODUVWGAFEEKS-UHFFFAOYSA-N
XLogP4.10
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110450657
2-(4-methyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 110484551
N-[4-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 71962236
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548148
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(1-hydroxybutan-2-yl)acetamide
CID 82547902
2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 110450436
ethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 82547809
N-(2,5-dimethylphenyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38884969
2-(8-aminoquinolin-2-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 110451248
N-(2-aminophenyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119422829
N-(2,5-dichlorophenyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38886003
methyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]-methylamino]acetate
CID 82547784

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide (CID 110450658) is 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)Cc1csc(C(N)C(C)C)n1.
What is the InChIKey of 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is QUODUVWGAFEEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-11(2)14-7-5-6-8-15(14)21-16(22)9-13-10-23-18(20-13)17(19)12(3)4/h5-8,10-12,17H,9,19H2,1-4H3,(H,21,22).
What are the key properties of 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide?
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 331.49 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 110450658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).