N-(2-cyclopropyl-2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

C13H20N2O3S — CID 63298830

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC(O)C1CC1
InChIInChI=1S/C13H20N2O3S/c1-9-8-19-13(18)15(9)6-2-3-12(17)14-7-11(16)10-4-5-10/h8,10-11,16H,2-7H2,1H3,(H,14,17)
InChIKeyTVJPPEQCUHZYDO-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.89
Rot. Bonds7

About N-(2-cyclopropyl-2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

N-(2-cyclopropyl-2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 63298830) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID63298830
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)NCC(O)C1CC1
InChIInChI=1S/C13H20N2O3S/c1-9-8-19-13(18)15(9)6-2-3-12(17)14-7-11(16)10-4-5-10/h8,10-11,16H,2-7H2,1H3,(H,14,17)
InChIKeyTVJPPEQCUHZYDO-UHFFFAOYSA-N
XLogP0.89
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 63298830) is N-(2-cyclopropyl-2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)NCC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is TVJPPEQCUHZYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-8-19-13(18)15(9)6-2-3-12(17)14-7-11(16)10-4-5-10/h8,10-11,16H,2-7H2,1H3,(H,14,17).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-(2-cyclopropyl-2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 284.38 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 63298830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).