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

C13H20N2O3S — CID 43577365

IUPACN-cyclopropyl-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)N(CCO)C1CC1
InChIInChI=1S/C13H20N2O3S/c1-10-9-19-13(18)14(10)6-2-3-12(17)15(7-8-16)11-4-5-11/h9,11,16H,2-8H2,1H3
InChIKeyMQNUXHAZWFRCBZ-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.98
Rot. Bonds7

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

N-cyclopropyl-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 43577365) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID43577365
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-cyclopropyl-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)N(CCO)C1CC1
InChIInChI=1S/C13H20N2O3S/c1-10-9-19-13(18)14(10)6-2-3-12(17)15(7-8-16)11-4-5-11/h9,11,16H,2-8H2,1H3
InChIKeyMQNUXHAZWFRCBZ-UHFFFAOYSA-N
XLogP0.98
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 43577365) is N-cyclopropyl-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-cyclopropyl-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-cyclopropyl-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is MQNUXHAZWFRCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-9-19-13(18)14(10)6-2-3-12(17)15(7-8-16)11-4-5-11/h9,11,16H,2-8H2,1H3.
What are the key properties of N-cyclopropyl-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-cyclopropyl-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 284.38 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 43577365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).