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

C17H23N3OS — CID 110450657

IUPAC2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)Cc1csc(CCCN)n1
InChIInChI=1S/C17H23N3OS/c1-12(2)14-6-3-4-7-15(14)20-16(21)10-13-11-22-17(19-13)8-5-9-18/h3-4,6-7,11-12H,5,8-10,18H2,1-2H3,(H,20,21)
InChIKeySAKYRBOHBBFOBT-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.34
Rot. Bonds7

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

2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 110450657) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
PubChem CID110450657
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)Cc1csc(CCCN)n1
InChIInChI=1S/C17H23N3OS/c1-12(2)14-6-3-4-7-15(14)20-16(21)10-13-11-22-17(19-13)8-5-9-18/h3-4,6-7,11-12H,5,8-10,18H2,1-2H3,(H,20,21)
InChIKeySAKYRBOHBBFOBT-UHFFFAOYSA-N
XLogP3.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110450658
2-(4-methyl-1,3-thiazol-2-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 110484551
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547722
methyl 4-[[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 110450768
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82547668
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)acetamide
CID 82547746
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 110450848
N-[4-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 71962236
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(3-cyanophenyl)acetamide
CID 82547638
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
N-(2-propan-2-ylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110649858
2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-(2,4-dichlorophenyl)acetamide
CID 110450895

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide (CID 110450657) is 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)Cc1csc(CCCN)n1.
What is the InChIKey of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is SAKYRBOHBBFOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-12(2)14-6-3-4-7-15(14)20-16(21)10-13-11-22-17(19-13)8-5-9-18/h3-4,6-7,11-12H,5,8-10,18H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide?
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 317.46 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 110450657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).