N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide

C13H22N2O3S — CID 43573774

IUPACN-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide
SMILESCc1csc(=O)n1CCCC(=O)N(CCO)C(C)C
InChIInChI=1S/C13H22N2O3S/c1-10(2)14(7-8-16)12(17)5-4-6-15-11(3)9-19-13(15)18/h9-10,16H,4-8H2,1-3H3
InChIKeyOFYPVNPCODDSRT-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.23
Rot. Bonds7

About N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide

N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide (PubChem CID 43573774) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide
PubChem CID43573774
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide
SMILESCc1csc(=O)n1CCCC(=O)N(CCO)C(C)C
InChIInChI=1S/C13H22N2O3S/c1-10(2)14(7-8-16)12(17)5-4-6-15-11(3)9-19-13(15)18/h9-10,16H,4-8H2,1-3H3
InChIKeyOFYPVNPCODDSRT-UHFFFAOYSA-N
XLogP1.23
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide (CID 43573774) is N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide is Cc1csc(=O)n1CCCC(=O)N(CCO)C(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide?
The InChIKey is OFYPVNPCODDSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-10(2)14(7-8-16)12(17)5-4-6-15-11(3)9-19-13(15)18/h9-10,16H,4-8H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide?
N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide has a molecular weight of 286.40 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 43573774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).