3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-(oxan-4-yl)propanamide

C20H25N3O3S — CID 126775870

IUPAC3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-(oxan-4-yl)propanamide
SMILESNC(=O)CC(NC(=O)Cc1csc(Cc2ccccc2)n1)C1CCOCC1
InChIInChI=1S/C20H25N3O3S/c21-18(24)12-17(15-6-8-26-9-7-15)23-19(25)11-16-13-27-20(22-16)10-14-4-2-1-3-5-14/h1-5,13,15,17H,6-12H2,(H2,21,24)(H,23,25)
InChIKeyCYXMLKXCJCHGDT-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.06
Rot. Bonds8

About 3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-(oxan-4-yl)propanamide

3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-(oxan-4-yl)propanamide (PubChem CID 126775870) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-(oxan-4-yl)propanamide
PubChem CID126775870
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-(oxan-4-yl)propanamide
SMILESNC(=O)CC(NC(=O)Cc1csc(Cc2ccccc2)n1)C1CCOCC1
InChIInChI=1S/C20H25N3O3S/c21-18(24)12-17(15-6-8-26-9-7-15)23-19(25)11-16-13-27-20(22-16)10-14-4-2-1-3-5-14/h1-5,13,15,17H,6-12H2,(H2,21,24)(H,23,25)
InChIKeyCYXMLKXCJCHGDT-UHFFFAOYSA-N
XLogP2.06
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119225580
N-(2-amino-1-cyclohexylethyl)-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119590482
ethyl 3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-phenylpropanoate
CID 48588024
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
N-(1-aminohexan-2-yl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119666140
N-(2-adamantyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 78869634
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 38706195
2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(cycloheptylamino)ethyl]acetamide
CID 119619930
N-(2-amino-1-cyclopropylethyl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119613700
5-[[3-amino-1-(oxan-4-yl)-3-oxopropyl]carbamoyl]thiophene-2-carboxylic acid
CID 119187224
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-fluorophenyl)acetamide
CID 38765206
propan-2-yl 3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-(2-nitrophenyl)propanoate
CID 55649399

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-(oxan-4-yl)propanamide?
The IUPAC name of 3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-(oxan-4-yl)propanamide (CID 126775870) is 3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-(oxan-4-yl)propanamide.
What is the SMILES notation for 3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-(oxan-4-yl)propanamide?
The canonical SMILES for 3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-(oxan-4-yl)propanamide is NC(=O)CC(NC(=O)Cc1csc(Cc2ccccc2)n1)C1CCOCC1.
What is the InChIKey of 3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-(oxan-4-yl)propanamide?
The InChIKey is CYXMLKXCJCHGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c21-18(24)12-17(15-6-8-26-9-7-15)23-19(25)11-16-13-27-20(22-16)10-14-4-2-1-3-5-14/h1-5,13,15,17H,6-12H2,(H2,21,24)(H,23,25).
What are the key properties of 3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-(oxan-4-yl)propanamide?
3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-(oxan-4-yl)propanamide has a molecular weight of 387.51 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 126775870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).