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

C12H20N2O4S — CID 61234726

IUPACN,N-bis(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)N(CCO)CCO
InChIInChI=1S/C12H20N2O4S/c1-10-9-19-12(18)14(10)4-2-3-11(17)13(5-7-15)6-8-16/h9,15-16H,2-8H2,1H3
InChIKeyNZWAEEJUVZOMFI-UHFFFAOYSA-N
MW288.37 g/mol
LogP-0.19
Rot. Bonds8

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

N,N-bis(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 61234726) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID61234726
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC NameN,N-bis(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)N(CCO)CCO
InChIInChI=1S/C12H20N2O4S/c1-10-9-19-12(18)14(10)4-2-3-11(17)13(5-7-15)6-8-16/h9,15-16H,2-8H2,1H3
InChIKeyNZWAEEJUVZOMFI-UHFFFAOYSA-N
XLogP-0.19
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 61234726) is N,N-bis(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is NZWAEEJUVZOMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-10-9-19-12(18)14(10)4-2-3-11(17)13(5-7-15)6-8-16/h9,15-16H,2-8H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N,N-bis(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 288.37 g/mol, XLogP of -0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 61234726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).